WILLIAM A. LESTER, JR.
Residence
Business Address
4433 Briarcliff Road
Oakland, CA 94605-4624
Tel: (510) 635-9782
Fax: (510) 635-9780
Department of Chemistry
University of California, Berkeley
Berkeley, CA 94720-1460
Tel: (510) 643-9590
Fax: (510) 642-1088
Education
Chicago Public School System
University of Chicago, B.S., Chemistry
University of Chicago, M.S., Chemistry
Catholic University of America, Ph.D., Chemistry
Professional Experience
1995-1996 National Science Foundation, Senior Fellow for Science and Engineering
and Assistant to the Director for Human Resource Development; concerned with
the full range of science policy issues that arise in the Office of the Director and
human resource matters both internal to NSF and external to the science and
technology communities that form the Foundation's constituency.
1991-1995 University of California, Berkeley, Associate Dean, College of Chemistry.
Responsible for undergraduate affairs for the Departments of Chemistry and
Chemical Engineering.
1981-Present University of California, Berkeley, Professor of Chemistry. Also E. O.
Lawrence Berkeley National Laboratory, Chemical Sciences Division, Faculty
Senior Scientist.
1978-1981 National Resource for Computation in Chemistry (NRCC). Director;
organized and directed nation's first unified effort in chemistry; concentration on
improving efforts of chemists by making available information on new
computational methodologies, development of computational algorithms and
related software, as well as research in chemistry that utilizes computational
methods. Also Associate Director and Staff Senior Scientist, Lawrence Berkeley
Laboratory.
1976-1978
IBM Research Laboratory, San Jose, California. Manager, Molecular
Interactions Group; directed researchers engaged in both experimental and
theoretical studies in chemical physics; personal research on molecular collisions.
1975-1976
IBM T. J. Watson Research Center, Yorktown Heights, New York.
Member, Technical Planning Staff; advisor in science for all IBM Research
Division locations - Yorktown Heights, NY, San Jose, CA, and Zurich, Switzerland
- to the Vice-President and Director of Research.
1968-1975
IBM Research Laboratory, San Jose, California. Permanent professional
staff; research in quantum chemistry and molecular collisions.
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1966-1968 Department of Chemistry, University of Wisconsin Madison. Lecturer;
taught undergraduate physical chemistry and special-topics graduate courses in
theoretical chemistry.
1965-1968
Theoretical Chemistry Institute, University of Wisconsin, Madison.
Assistant Director of Institute; coordinated all administrative tasks of the Institute
in accord with Director's guidelines; also research in molecular quantum mechanics
and scattering theory.
1964-1965 Theoretical Chemistry Institute, University of Wisconsin.
Associate; research in molecular collision theory.
1961-1964
National Bureau of Standards, Washington, D. C.
research in quantum chemistry.
Postdoctoral
Physical Chemist;
Honors
V. A. Adams Scholarship Award, University of Chicago, 1953-1958.
Alumni-Dean's Award, University of Chicago, 1955.
Amos Alonzo Stagg Medal, University of Chicago, 1957.
"Man of the Year,'' University of Chicago, 1957.
IBM Corporation Outstanding Contribution Award, 1974.
The Percy L. Julian Award in Pure or Applied Research, National Organization for
the Professional Advancement of Black Chemists and Chemical Engineers, 1979.
Alumni Achievement Award in Science, The Catholic University of America, 1983.
Fellow, American Physical Society, 1984.
Outstanding Teacher Award, National Organization for the Professional
Advancement of Black Chemists and Chemical Engineers, 1986.
Professional Achievement Award, Northern California Council of Black
Professional Engineers, 1989.
Fellow, American Association for the Advancement of Science, 1991.
Fellow, California Academy of Sciences, 1994.
Visiting Professor, Centro del C. N. R. per lo Studio delle Relazioni tra Struttura e
Reattivà, Dipartimento de Chimica e Fisica dell'universita Statale di Milano,
August-September, 1995
Visiting Professor, Laboratoire de Chimie Theorique, Universite Pierre et Marie
Curie, Paris, France, April, 1996.
Outstanding Service Award, National Science Foundation, 1996.
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William A. Lester, Jr.
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Member, President’s Committee on the National Medal of Science, September,
2000-2002.
Member, Department of Energy Advisory Committee on Advanced Scientific
Computing, 2000-2004.
Selected for Allstate calendar, “From Whence We Came, Pathfinders of the
Future”, April subject for 2004.
Selected ScienceMaker, The HistoryMakers, National African American Video
Oral History Archive, 2004.
Inducted into the University of Chicago’s Athletics Hall of Fame, 2004.
2004 INCITE (Innovative and Novel Computational Impact on Theory and
Experiment) award winner for proposal entitled, “Quantum Monte Carlo Study of
Photoprotection via Carotenoids in Photosynthetic Centers” - one of three awards of
one million or more hours of IBM SP computer time in a national competition
sponsored by the Department of Energy.
Certificate of Recognition, California Legislative Assembly, Assembly Member
Ellen M. Corbett, 18th Assembly District, February 12, 2004.
Certificate of Recognition, California State Assembly, Majority Leader Wilma
Chan, 16th Assembly District, February 12, 2004.
Member Resolution No. 470, Honorable Don Perata, California Senate Majority
Leader, February 12, 2004.
Visiting Professor, Department of Physics, University of Trento, March-April 2005.
Chancellor’s Award (UCB) for Advancing Institutional Excellence, April 2006.
Elected member, International Academy of Quantum Molecular Science, May
2006.
A Symposium in Honor of William A. Lester, Jr. on his 70th Birthday, University of
California, Berkeley, March 28-31, 2007.
Appointed, Board of Directors, International Society for Theoretical Chemical
Physics, July, 2008.
William A. Lester, Jr. Festschrift, The Journal of Physical Chemistry, Volume 112,
Number 10, 2008.
American Men and Women of Science, 14th and succeeding editions, Jacques
Cattell Press, Tempe, Arizona.
Living Legends in Black, Bailey Publishing Co., Detroit, Michigan, 1976.
Who's Who in the West, 16th and succeeding editions, Marquis Who's Who, Inc.
Community Leaders and Noteworthy Americans, 1979-1980 and succeeding
editions, American Biographical Institute, Raleigh, North Carolina.
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William A. Lester, Jr.
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Directory of Distinguished Americans, American Biographical Institute, Raleigh,
North Carolina.
Distinguished African American Scientists of the 20th Century, James H. Kessler, J.
S. Kidd, Renee A. Kidd, and Katharine A. Morin, (Oryx Press, Phoenix), 1996, p.
228.
Who's Who in Technology, Gale Research Inc., Detroit, Michigan.
Who's Who in Technology Today, 2nd and succeeding editions, Technology
Recognition Corporation, Pittsburgh, Pennsylvania.
Who's Who in Society, 1988 edition
Who's Who in Frontier Science and Technology, 2nd and succeeding editions,
Marquis Who's Who, Inc.
Who's Who, 1988 edition, American Publishing.
Who's Who in American Education, 1991 and succeeding editions, The National
Reference Institute, Wilmette, Illinois.
Who's Who Among Black Americans, 1980 and succeeding editions, Lake Forest,
Illinois.
Who's Who in Science and Engineering, first (1992) and succeeding editions,
Marquis Who's Who, Inc.
Who's Who in America, 42nd and succeeding editions, Marquis Who's Who, Inc.
Who's Who in the World, 2006 and succeeding edition, Marquis Who’s Who, Inc..
Invited Presentations at National and International Meetings
XVth International Workshop on Quantum Systems in Chemistry and Physics,
"Quantum Monte Carlo for Molecules: Recent Progress and New Directions,"
Magdalene College, Cambridge University, Cambridge, England, August 31, 2010September 5, 2010.
Molecular Quantum Mechanics: From Methylene to DNA and Beyond, “Quantum
Monte Carlo methods: batteries, solvents, and bonding” University of California,
Berkeley, May 22-26, 2010.
11th International Conference on Advanced Materials VIII Encontro SBPMat,
“Quantum Monte Carlo for Molecular Systems,” Rio de Janeiro, September 20-25,
2009.
Modeling Interactions in Biomolecules IV, “Selected Directions in Quantum Monte
Carlo,” Hrubá Skála, Czech Republic, September 14-19, 2009.
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Symposium of Theoretical Chemistry "Excited States of Large Molecules",
Duesseldorf, Germany, September 8-12, 2009.
Linking Nuclei, Molecules, and Condensed Matter: Computational Quantum ManyBody Approaches, European Center for Theoretical Studies in Nuclear Physics and
Related Areas, “Quantum Monte Carlo for the Electronic Structure of Molecules,”
Trento, Italy, July 6-10, 2009.
17th Conference on Current Trends in Computational Chemistry, “Quantum Monte
Carlo for Molecular Systems,” Jackson, MI, October 31-November 1, 2008.
Eighth Triennial Congress of WATOC (World Association of Theoretical and
Computational Chemists), “Selected Developments in Quantum Monte Carlo:
Methods and Applications,” Sydney, Australia, September 14-19, 2008.
6th Congress of the International Society for Theoretical Chemical Physics (ISTCPVI), “Some Recent Developments in Quantum Monte Carlo,” UBC, Vancouver,
Canada, July 19-24, 2008.
13th International Workshop on Quantum Systems in Chemistry and Physics
(QSCP-XIII), “Some Recent Developments in Quantum Monte Carlo,” Michigan
State University, East Lansing, MI, July 6-12, 2008.
VI Encontro da SBPMat – 6th Brazilian MRS Meeting, “Recent Developments in
Quantum Monte Carlo: Methods and Applications,” Serhs Grand Hotel em NatalRN, Brazil, October 28-November 1, 2007.
Workshop on Nuclei and Mesoscopic Physics, “Some Applications of Quantum
Monte Carlo to Molecular Systems,” Michigan State University, East Lansing, MI,
October 20-22, 2007.
International Conference of Computational Methods in Sciences and Engineering
2007 (ICCMSE 2007), “Recent Developments in Quantum Monte Carlo: Methods
and Applications,” Corfu, Greece, September 25-30, 2007.
NWChem Workshop at the Environmental Molecular Sciences Laboratory: Science
Driven Petascale Computing and Capability Development, “Linear Scaling
Evaluation of the Local Energy in Quantum Monte Carlo,” January 24-26, 2007.
The talk was not delivered in person owing to weather, but it was provided to the
organizers for the meeting report.
XII-ICQC (International Congress on Quantum Chemistry), “Quantum Monte
Carlo for Electronic Structure: Recent Application to the Computation of Molecular
Energies,” Kyoto, Japan, May 21-26, 2006.
Multiscale Modelling: Electrons, Molecules and (Bio)Materials”, “Quantum Monte
Carlo for the Electronic Structure of Molecules,” Academy Committee for
Chemistry, The Royal Netherlands Academy of Arts and Sciences, Amsterdam, The
Netherlands, April 3-5, 2006.
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William A. Lester, Jr.
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Symposium on Advances in Quantum Monte Carlo, 2005 International Chemical
Congress of Pacific Basin Societies, “Quantum Monte Carlo Study of
Photoprotection in Plants and Bacteria”, Honolulu, Hawaii, December 15-20, 2005.
Symposium on Chemistry in the Large: Teraflop Computing and Beyond.
Searching for Chemical Accuracy: Terascale Computing with High Accuracy Ab
Initio Methods, 230th ACS Meeting, “Quantum Monte Carlo: An ab initio
molecular computational methodology for terascale computing”, Washington, DC,
August 28-September 1, 2005.
45th Sanibel Symposium, “Quantum Monte Carlo for the Electronic Structure of
Biosystems: Approach and Applications,” St. Simons Island, GA, March 5-11,
2005.
International Conference on Computational Tools for Molecules, Clusters and
Nanostructures, “Recent Developments in Quantum Monte Carlo for Electronic
Structure: Methods and Applications to Bio and Other Systems,” Karlsruhe,
Germany, January 23-26, 2005.
Seventh Congress of the World Association of Theoretically Oriented Chemists
(WATOC05), “Recent Developments in Quantum Monte Carlo: Methods and
Applications to Bio and Other Systems,” Cape Town, South Africa, January 16-21,
2005.
13th Conference on Current Trends in Computational Chemistry, “Quantum Monte
Carlo for Photosynthesis,” Jackson, MS, November 12, 2004.
Supercomputing 2004, "Quantum Monte Carlo Study of Photoprotection via
Carotenoids in Photosynthetic Centers,” Pittsburgh, PA, November 9, 2004.
International Conference on Computational and Mathematical Methods in Science
and Engineering, ICMMSE 2004, “Quantum Monte Carlo: Theory and Application
to Molecular Systems,” Uppsala, Sweden, June 4-8, 2004.
XII Brazilian Symposium of Theoretical Chemistry (XI-SBQT), “Quantum Monte
Carlo for Molecular Systems,” Caxambu, Minas Gerais, Brazil, November 23-26,
2003.
Symposium on Quantum Monte Carlo Methods: Electronic Structure, 226th ACS
National Meeting, “Application of Quantum Monte Carlo to Molecular Systems,”
New York, New York, September 10, 2003.
The Welch Foundation 46th Conference on Chemical Research, Advances in
Quantum Chemistry, “Quantum Monte Carlo for Molecular systems,” Houston, TX,
October 28-29, 2002.
6th World Congress of Theoretically Oriented Chemists, “Some Recent Advances in
Quantum Monte Carlo for the Electronic Structure of Molecular systems,” Lugano,
Switzerland, August 5, 2002.
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10th Conference on Current Trends in Computational Chemistry, “Overview of
Quantum Monte Carlo Developments for the Past Decade,” Jackson, MS,
November 3, 2001.
National Society of Black Physicists Annual Meeting, Quantum Monte Carlo for
Molecular Systems,” Palo Alto, CA, March 31, 2001.
The Second Joint Meeting of the US Sections of the Combustion Institute,
“Quantum Monte Carlo Study of the Addition of Propargyl and Acetylene:
Pathways to Cyclic Hydrocarbons,” Oakland, CA, March 27, 2001.
Symposium on Advances In Quantum Monte Carlo, 2000 International Chemical
Congress of Pacific Basin Societies (Pacifichem), “Diffusion Monte Carlo for
Selected Combustion Systems,” Honolulu, HI, December 20, 2000.
MOLEC XIII, “Hydrogen Abstraction from Methanol by Halogen Atoms,”
Jerusalem, Israel, September 17-22, 2000.
American Chemical Society Meeting, Symposium in the Division of
Chemical Education on Envisioning The Chemical Sciences: Perspectives From
Camille And Henry Dreyfus Foundation Awardees, “CoCSP (College of Chemistry
Scholars Program) and QMC: Background and Recent Developments,” August 21,
2000.
Workshop on Contemporary Problems in Mathematical Physics, “Quantum Monte
Carlo for Atoms and Molecules,” Contonou, Benin, October 31, 1999.
Workshop on Frontiers in Quantum Monte Carlo, “Quantum Monte Carlo for
Electronic Structure of Molecular Systems: Stability and Reaction Pathways,”
Institute of Nuclear Physics, University of Washington, Seattle, WA, September
23, 1999.
5th Conference, Computers In Chemistry ‘99, and Polish-American workshop on
New Trends In Computational Methods For Large Molecular Systems, “Quantum
Monte Carlo For Electronic Structure: Molecular
Stability
and
Reaction
Pathways,” Szklarska Poreba, Poland, July 1, 1999.
1998 Annual Meeting, American Institute of Chemical Engineers, AIChE Topical
Conference: Applying Molecular Modeling and Computational Chemistry,
“Quantum Monte Carlo for Chemical Engineering,” Miami Beach, Florida,
November 15, 1998.
211th American Chemical Society Meeting, Divisions of Computers in Chemistry
and Physical Chemistry Symposium on Monte Carlo Methods in Chemistry,
"Recent Progress on Quantum Monte Carlo for Atoms and Molecules," New
Orleans, Lousiana, March 24, 1996.
PACIFICHEM '95,
"Quantum Monte Carlo for Electronic Structure and
Vibrations," Honolulu, Hawaii, December 17-22, 1995.
American Mathematical Society, "Quantum Monte Carlo for Molecules", San
Francisco, California, January 7, 1994.
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Meeting on "Quantum Simulation for Atoms, Molecules and Solids,'' Centre
Europeen de Calcul Atomique et Moleculaire, Universite (Paris-Sud, Orsay,
France, July 29-August 2, 1991 and June 29-July 3, 1992.
Meeting on "Recent Methodological Advances in Dynamical and Correlation
Calculations,'' Peyresq, France, June 27-29, 1991.
Seventh American Conference on Theoretical Chemistry, San Diego, California,
July 30-August 3, 1990.
Workshop on "Quantum Monte Carlo for Atoms, Molecules, and Selected
Condensed Matter Systems,'' Centre Europeen de Calcul Atomique et Moleculaire,
Universite Paris-Sud, Orsay, France, May 16-26, 1989, and June 11-22, 1990.
White House Initiative on Historically Black Colleges and Universities Science and
Technology Symposium, "Computational Sciences,'' Washington, D. C., September
25-27, 1988.
Third Chemical Congress of North America, "Computers in Chemistry: A Personal
Perspective,'' Toronto, Canada, June 5-10, 1988.
Gordon Research Conference on Atomic and Molecular Interactions, "Quantum
Monte Carlo for the Energy and Other Properties of Atomic and Molecules,''
Plymouth, New Hampshire, July 28-August 1, 1986.
Symposium on Computational Chemistry on CRAY Supercomputers, "Diffusion
Monte Carlo for Molecules,'' Minneapolis, Minnesota, June 11-13, 1986.
Symposium on Computational and Mathematical Chemistry, "Photodissociation
and Chemical Reaction as a Quantum Transition: Theory and Applications,''
Saskatoon, Saskatchewan, Canada, June 1-4, 1986.
Combined Sanibel Symposia and National Science Foundation Workshop,
"Quantum Monte Carlo for Molecules: Energies and Other Properties,'' Snowbird,
Utah, April 20-26, 1986.
Workshop on the "Future of Chemistry,'' Swedish Natural Research Council,
Saltsjöbaden, Sweden, October 6-7, 1984.
Meeting on "Theory of Chemical Reaction Dynamics,'' Cambridge University,
Cambridge, England, July 13-16, 1984.
International Symposium on Atomic, Molecular, and Computational Quantum
Chemistry, Palm Coast, Florida, March 7-12, 1983.
Workshop on "Dynamics of the Photodissociation of Simple Molecules,'' Centre
Europeen de Calcul Atomique of Moleculaire, Orsay, France, August 30-September
17, 1982.
28th IUPAC Congress, Keynote Lecture, Application of Computers in Theoretical
Chemistry,'' University of British Columbia, Vancouver, British Columbia, August
16-21, 1981.
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American Conference on Theoretical Chemistry, Boulder, Colorado, June 22-26,
1981.
Conference on Computers & Chemistry, Tallahassee, Florida, March 25-27, 1981.
Scopus Conference: Perspectives in Chemical Physics, The Hebrew University,
Jerusalem, Israel, June 22-27, 1980.
Symposium on Computational Methods in Chemistry, Bad Neuenahr, Federal
Republic of Germany, September 17-19, 1979.
Gordon Conference on "Few Body Problems in Chemistry and Physics,'' Brewster
Academy, Wolfeboro, New Hampshire, August 13-17, 1979.
International Symposium on Atomic, Molecular, Solid State Theory, Collision
Phenomena, Quantum Statistics, and Computational Methods, Palm Coast, Florida,
March 12-17, 1979.
Simposio Internacional de Informatica, Mexico City, Mexico, January 24-27, 1978.
Sixth Canadian Symposium on Theoretical Chemistry, University of New
Brunswick, Fredericton, N.B., Canada, June 19-25, 1977.
International Symposium on Atomic, Molecular, Solid-State Theory, Collision
Phenomena, Quantum Statistics, and Computational Methods, Sanibel Island,
Florida, January 18-24, 1976.
Workshop on "Multisurface Collision Dynamics,'' Centre Europeen de Calcul
Atomique et Moleculaire, Orsay, France, July 7-September 5, 1975.
Meeting of the Italian Section of the Electronic and Atomic Physics Section of the
European Physical Society, Pisa, Italy, June 25, 1975.
Workshop on "Interstellar Molecules:
Their Formation, Excitation, and
Destruction,'' Meudon Observatory, Meudon, France, August 14, 1975.
Workshop on the "Calculation of Dynamics on a Potential Energy Surface,'' Centre
Europeen de Calcul Atomique et Moleculaire, Orsay, France, June 2-29, 1973.
Gordon Conference on "Dynamics of Molecular Collisions,'' Plymouth, New
Hampshire, July 24-28, 1972.
International Symposium on Atomic, Molecular, and Solid State Theory and
Quantum Biology, Sanibel Island, Florida, January 16-22, 1972.
International Seminar Course, "Computing as a Language of Physics,'' International
Center for Theoretical Physics, Trieste, Italy, August 2-20, 1971.
Symposium on "The Theory of Chemical Reactions,'' Rice University, Houston,
Texas, April 23-24, 1971.
Gordon Conference on "Molecular Energy Transfer,'' Andover, New Hampshire,
June 1969.
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Selected Other Invited Presentations
Materials Modeling Cluster Distinguished Visitor and Speaker, Department of
Chemistry, University of North Texas, Denton, Texas, October 29-30, 2010.
Invited lecture, “Quantum Monte Carlo for the Electronic Structure of Molecules,”
C4 Workshop, Swiss Federal Institute of Technolody, Zurich, Switzerland, January
4-6, 2007.
Invited lecture, "Quantum Monte Carlo for Large Molecules: Work in Progress",
Department of Chemistry, Autonomous University of Mexico, Mexico City,
Mexico, June 13, 2005.
Invited lecture, "Quantum Monte Carlo for Large Molecules: Work in Progress",
Laboratoire de chimie théorique, Université Pierre et Marie Curie (Paris VI), Ivry
Sur Seine, France, May 9, 2005.
Invited lecture, "Quantum Monte Carlo for Molecules," Department of Chemistry,
Physics and Mathematics, Universita dell"Insubria, Como, Italy, May 4, 2005
Invited lecture: "Quantum Monte Carlo for Molecules: Recent Applications and
Research in Progress", Department of Physics, University of Trento, Trento, Italy,
April 21, 2005.
Invited lecture: "Quantum Monte Carlo for Molecules: Basic Theory,” Department
of Physics, University of Trento, Trento, Italy, April 14, 2005.
Invited lecture, "Recent Developments in Quantum Monte Carlo: Bio and Other
Systems", Department of Chemistry, University of Florida, Gainesville, FL,
October 5, 2004.
Robert S. Mulliken Lecture, “Robert Mulliken and Quantum Monte Carlo,”
Department of Chemistry, University of Georgia, Athens, GA, April 26, 2002.
The Lloyd N. Ferguson Distinguished Lecture, “The Legacy of Lloyd Ferguson,”
School of Natural and Social Sciences, Department of Chemistry and Biochemistry,
California State University, Los Angeles, November 7, 1997.
Discussions on quantum Monte Carlo for atoms and molecules, Institute of
Mechanics, Chinese Academy of Sciences, June 17-20, 1997.
Seminar on "Diffusion Monte Carlo for Atoms and Molecules," Laboratoire de
Chimie Theorique, Universite Pierre et Marie Curie, Paris, France, April 17, 1996.
Seminar on "Theory by Chance: A Molecular Quantum Monte Carlo Approach,"
Università di Milano, Como, Italy, September 12, 1995; Dipartimento di Chimica
Fisica ed Elettrochimica, Università di Milano, Milan, Italy, September 13, 1995.
Haines Lecturer, Department of Chemistry, University of South Dakota,
Vermillion, South Dakota, March 21, 1995.
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William A. Lester, Jr.
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Seminar on "Quantum Monte Carlo for Molecules,'' Department of Chemistry,
Bilkent University, Ankara, Turkey, July 9, 1992.
Frontiers in Chemistry Lecture Series, "Monte Carlo Calculations of Small
Molecules,'' sponsored by BASF Corporation, Wyandotte, Michigan, and
Department of Chemistry, Wayne State University, presented at Wayne State
University, Detroit, Michigan, September 23, 1991.
The Packard Lecture, The Natural Sciences Division, Spelman College, Atlanta,
Georgia, April 26, 1990.
Seminar on "Diffusion Quantum Monte Carlo,'' Department of Fundamental
Chemistry, Federal University of Pernambuco, Recife, Brazil, April 7, 1988.
Seminar on "Quantum Monte Carlo of Molecules,'' Department of Condensed
Materials and Statistical Physics, Brazilian Center for Physics Research, Rio de
Janeiro, Brazil, February 9, 1988.
Testimony before the Subcommittee on Science, Research and Technology,
Committee on Science, Space, and Technology, US House of Representatives,
Hearing on Fiscal Year 1988 National Science Foundation Authorization,
Washington, DC, February 25, 1987.
Seminar on "Theory and Applications of Fixed-Node Quantum Monte Carlo for
Atoms and Molecules,'' Department of Chemistry, Hokkaido University, Sapporo,
Japan, September 18, 1985.
Seminar on "Fixed-Node Quantum Monte Carlo for Atoms and Molecules,''
Institute for Molecular Science, Okazaki, Japan, September 13, 1985.
Seminar on "Diffusion Monte Carlo for Molecules,'' Institute for Theoretical
Physics, Stockholm University, Stockholm, Sweden, October 10, 1984.
Seminar on "Quantum Monte Carlo for Molecules,'' Quantum Chemistry Group,
University of Uppsala, Uppsala, Sweden, October 9, 1984; Institute for Molecular
Science, Okazaki, Japan, November 16, 1983.
Seminar on "Potential Energy Surfaces and Collision Dynamics,'' Institute of
Chemistry, Academia Sinica, Beijing, The People's Republic of China, November
8, 1983.
Testimony before the Subcommittee on Energy Development and Applications and
the Subcommittee on Energy Research and Production of the Committee on Science
and Technology, US House of Representatives, Ninety-Eighth Congress, First
Session on "Computers and Their Role in Energy Research: Current Status and
Future Needs,'' Washington, DC, June 15, 1983.
Distinguished Speaker Series, Department of Chemistry, University of New
Orleans, New Orleans, Louisiana, March 5, 1981.
The Seventh Annual Kimuel A. Huggins, Memorial Lecture, Department of
Chemistry, Atlanta University, Atlanta, Georgia, May 1, 1979.
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William A. Lester, Jr.
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Distinguished Speaker Series, Department of Chemistry, University of Utah, Salt
Lake City, Utah, January 11, 1979.
Third Annual "April Science Seminars,'' Florida A&M University, April 5-6, 1978.
Videotape Presentations of Special Topics by Minority Chemists, Jackson State
University, Jackson, Mississippi, March 21-24, 1977.
Special Appointments
Co-Chairman, Conference on Potential Energy Surfaces in Chemistry, University of
California, Santa Cruz, California, 1970.
Editor, Proceedings of the Conference on Potential Energy Surfaces in Chemistry,
University of California, Santa Cruz, California, 1971.
Session Chairman, Gordon Conference on "Atomic and Molecular Interactions,''
Wolfeboro, New Hampshire, August 12-16, 1974.
Session Chairman, IVth International Conference on Energy Transfer, Loccum,
Federal Republic of Germany, June 30-July 4, 1975.
Co-organizer and Session Chairman, Symposium on "Ab Initio Theory of
Molecular Processes,'' Seventh Annual Meeting of the Division of Electron and
Atomic Physics, American Physical Society, Tucson, Arizona, December 3-5,
1975.
Vice-Chairman, 1976 Gordon Conference on "Atomic and Molecular Interactions.''
Consultant to the National Science Foundation, 1976-77, 1980-83, 1985-87.
Session Chairman, Gordon Conference on "Few Body Problems in Chemistry and
Physics,'' Meriden, New Hampshire, August 15-19, 1977.
Selected as alternate delegate, US delegation to the XXIX General Assembly of the
International Union of Pure and Applied Chemistry, Warsaw, Poland, August 1221, 1977.
Chairman, Gordon Conference on "Atomic and Molecular Interactions,'' Brewster
Academy, Wolfeboro, New Hampshire, July 24-29, 1978.
Chairman, Computer Policy Board, Lawrence Berkeley Laboratory, Berkeley,
California, 1981-83.
Session Chairman, Texas Conference on "Theoretical Approaches to Chemical
Dynamics,'' University of Texas at Austin, March 1-4, 1981.
Session Chairman, Austin Symposium on "Applications of Theoretical Chemistry
in Industry,'' University of Texas at Austin, October 14-15, 1982.
Session Chairman, "Bruce Mahan Memorial Symposium,'' University of California,
Berkeley, California, November 1983.
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William A. Lester, Jr.
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Head, US Delegation, US-Sweden Workshop on the Future of Chemistry,
Saltjöbaden, Sweden, October 6-7, 1984.
Session Chairman, Meeting on "Supercomputer Simulations in Chemistry,''
Montreal, Canada, August 25-27, 1985.
Chair, Centers Subcommittee, Program Advisory Committee, Division of Advanced
Scientific Computing, National Science Foundation, 1986.
Chair, Joint Advisory Committees for Advanced Scientific Computing and
Networking and Communications Research and Infrastructure, National Science
Foundation, 1987.
Consultant, The Graduate School, University of Utah, Salt Lake City, Utah, 1987.
Visiting Research Scientist, Dolphus E. Milligan Science Research Institute,
Atlanta University Center, Atlanta, Georgia, October-December, 1987.
Visiting Research Scientist, Centro Brasilero de Pesquisas Fisicas, Rio de Janeiro,
Brazil, February-March, 1988; February, 1991; February-March, 1992.
Organizer and Co-Chairman, Workshop on "Quantum Monte Carlo for Atoms,
Molecules, and Selected Condensed Matter Systems,'' Centre Europeen de Calcul
Atomique et Moleculaire, Universite Paris-Sud, Orsay, France, May 16-26, 1989
and June 11-22, 1990.
Organizer and Co-chairman, Workshop on "Quantum Simulation for Atoms,
Molecules and Solids,'' Centre Europeen de Calcul Atomique et Moleculaire,
Universite Paris-Sud, Orsay, France, July 29-August 2, 1991, and June 29-July 9,
1992.
Consultant, Educational Testing Service, 1991.
Advisor, Science Programs, Upward Bound, University of California, Berkeley,
1991-.
Consultant, Teltech, Inc., Minneapolis, Minnesota, 1991-2000.
Organizing Committee, Conference on “Current Trends in Computational
Chemistry,” Jackson State University, Jackson, Mississippi, 1991-.
Session Chairman, Symposium on Monte Carlo Methods in Chemistry, 211th
American Chemical Society Meeting, Divisions of Computers in Chemistry and
Physical Chemistry, New Orleans, Lousiana, March 24, 1996.
Editor, Recent Advances in Quantum Monte Carlo Methods, World Scientific
Publishing (Singapore), 1997.
Session Chairman, Workshop on Frontiers in Quantum Monte Carlo, Institute
of Nuclear Physics, University of Washington, Seattle, WA, September 23, 1999.
Co-Chairman (with M. N. Hounkonnou) and Session Chairman, “Workshop on
Contemporary Problems in Mathematical Physics,” Contonou, Benin, October 31November 5, 1999.
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William A. Lester, Jr.
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Co-editor (with J. Govaerts and M. N. Hounknonnou), Proceedings of a Workshop
on Contemporary Problems in Mathematical Physics, World Scientific Publishing
(Singapore) 2000.
Session Chairman, MOLEC XIII, Jerusalem, Israel, September 17-22, 2000.
Editor, Recent Advances in Quantum Monte Carlo Methods, Part II, World
Scientific Publishing (Singapore), 2002.
Session Chair, Symposium on Quantum Monte Carlo Methods, Session on Clusters
and Molecular Interactions, 226th American Chemical Society Meeting, New York,
New York, September 7, 2003.
Session Chair, International Conference on Computational and Mathematical
Methods in Science and Engineering, ICMMSE 2004, Plenary Session of Tuesday,
June 8, 2004.
Session Chair, Symposium on "Advances in Quantum Monte Carlo", 2005
International Chemical Congress of Pacific Basin Societies; Honolulu, Hawaii,
December 15-20, 2005,
Session Chair, 13th International Workshop "Quantum Systems in Chemistry and
Physics" (QSCP-XIII), Michigan State University, July 6-12, 2008.
Session Chair, 2008 American Conference on Theoretical Chemistry, Northwestern
University, July 19-24, 2008.
Editorial Boards
JOURNAL OF CHEMICAL PHYSICS, 2006-2008.
COMMUNICATIONS ON ANALYSIS, GEOMETRY AND PHYSICS, 1997-.
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1979-87.
Advisory, Editorial Board, INTERNATIONAL JOURNAL OF QUANTUM
CHEMISTRY, 1979-87.
Specialist Editor for Quantum
COMMUNICATIONS, 1981-86.
Chemistry,
COMPUTER
PHYSICS
THE JOURNAL OF PHYSICAL CHEMISTRY, 1979-81.
Professional Associations
American Chemical Society. Division of Physical Chemistry (Chairman, 1979;
Chairman-Elect, 1978; Vice-Chairman, 1977). Division of Computers in
Chemistry [Treasurer (founding), 1974-77]. Wisconsin Section (SecretaryTreasurer, 1967-68). Contributor to: A Century of Chemistry, Eds. H.
9/29/10
William A. Lester, Jr.
15
Skolnik and K. M. Reese, American Chemical Society, Washington, D. C.,
1976.
American Physical Society (Fellow, 1984). Division of Chemical Physics
(Chairman, 1986-87; Vice-Chairman, 1985-86).
National Organization for the Professional Advancement of Black Chemists and
Chemical Engineers. Executive Board, 1984-87.
American Association for the Advancement of Science (Fellow, 1991). Committee
on Nominations, 1988-91; Chair, 1991. Board of Directors, 1993-97
(Compensation Committee 1994-97; Executive Committee, 1995-97); Council
Delegate from Section on Chemistry, 2005-2007.
Sigma Xi. Lectureships Committee, 1993-2002; Chair, 1998-2002. Board of
Directors, 1998-99. Committee on Development, 1999-2006. University of
California at Berkeley Chapter, Vice-President, 1998-2000; President, 20002001.
California Academy of Sciences (Fellow, 1994).
Gordon Research Conferences. Council, 1997-2000; Selection and Scheduling
Committee, 2000-2006; Chair, Blue Ribbon Panel on Diversity, 2006-; Board
of Trustees, 2006-2011.
International Academy of Quantum Molecular Science, 2006.
Committees and Panels
Workshop on "Gas Phase Molecular Interactions and the Nation's Energy Problem,''
Harriman, New York, May 27-29, 1974.
Advisory Committee, Atomic and Molecular Physics, Office of Naval Research,
November 6-7, 1974.
Chemistry Research Evaluation Panel, Directorate of Chemical Sciences, Air Force
Office of Scientific Research, 1974-78.
Evaluation Panel, National Science Foundation Energy-Related Postdoctoral
Fellowship Program, January 22-23, 1975.
Scientific Advisory Committee, "Third International Conference on Computers in
Chemical Research, Education, and Technology,'' Caracas, Venezuela, July 25-31,
1976.
United States National Committee, International Union of Pure and Applied
Chemistry, 1976-79.
Review Panel, National Research Council Research Associateships, Washington,
DC, February 22-24, 1977.
Editor Search Committee, JOURNAL OF PHYSICAL CHEMISTRY, 1979.
9/29/10
William A. Lester, Jr.
16
Review Committee for Graduate Program Development in the Sciences, Resource
Center for Science and Engineering, Atlanta University, Atlanta Georgia, February
5-6, 1979.
National Science Foundation, Chemistry Division Advisory Panel, 1980-83.
Advisory Board, Atlanta University Center Science Research Institute, 1980-82.
Panel for Chemical Physics, National Bureau of Standards, 1980-83.
Chemistry Computing Review Panel, University of Wisconsin-Milwaukee, March
14-16, 1982.
Visiting Committee on Computing, California Institute of Technology, May 19-21,
1982.
Committee to Survey Opportunities in the Chemical Sciences, National Research
Council, 1982-84.
Task Force on Large Scale Computing, Joint Board-Council Committee on Science,
American Chemical Society, 1983-84.
Advisory Panel for Sub-symposium on Minicomputers and Their Potential and
Impact on Quantum Chemistry and Solid State Physics of the 1983 International
Symposium on Atomic, Molecular, and Solid State Theory, Palm Coast, Florida,
March 7-12, 1983.
First Delegation of Black American Scientists to the People's Republic of China at
the invitation of the China Association of Science and Technology, November 1-12,
1983.
Advisory Committee for Part I., International Symposium on the Impact of
Computers on the Quantum Theory of Matter, 1984 Sanibel Symposia, March 1-3,
1984.
Energy Research Users Advisory Committee on the National Magnetic Fusion
Energy Computer Center, 1984.
Committee on Recommendations for U. S. Army Basic Scientific Research,
National Research Council, 1984-87.
Program Advisory Committee, Division of Advanced Scientific Computing,
National Science Foundation, 1985-87.
Army Basic Research Steering Committee, National Research Council, 1987-88.
Science Year Advisory Board, World Book, Inc., 1988-1993.
Committee on Nominations, American Association for the Advancement of
Science, 1988-91.
External Advisory Committee, Center for Research in Parallel Computation (jointly
shared NSF Science and Technology Center among Rice University, California
9/29/10
William A. Lester, Jr.
17
Institute of Technology, and Argonne and Los Alamo National Laboratories with
Rice as the lead institution), 1989-95.
Board of Directors, Chabot Observatory and Science Center, Oakland, California,
1989-95; 1997-2002.
Federal Networking Council Advisory Committee, 1991-95.
National Science Foundation, Chemistry Division supported delegation to the new
Russian state, August 26-September 7, 1992.
Office of Naval Research Physics Division Board of Visitors 1992 Annual Program
Review, Arlington, Virginia, January 27, 1993.
Blue Ribbon Panel on High Performance Computing, National Science Foundation,
1993.
AAAS Science Linkages in the Community, National Council Co-Chair, 1993-97 .
National Research Council Committee on High Performance Computing and
Communications, 1994-95.
National Research Council Committee on Mathematical Challenges from
Theoretical/Computational Chemistry, 1994-95.
National Research Council Army Research Laboratory Technical Assessment
Board, 1996-99.
National Research Council Panel on Sensors and Electron Devices of the Army
Research Laboratory Technical Assessment Board, 1996-97.
National Research Council Panel on Digitization and Communications Science of
the Army Research Laboratory Technical Assessment Board, 1997-99.
Council of the Gordon Research Conferences, 1997-2000.
Selection and Scheduling Committee, Gordon Research Conferences, 2000-2006.
President’s Committee on the National Medal of Science, 2000-2002.
Department of Energy Advisory Committee on Advanced Scientific Computing,
2000-2004.
National Research Council Board on Chemical Sciences and Technology, 20032006.
Review Committee, Chemistry Division, Argonne National Laboratory, September
7-9, 2004.
AAAS Council Delegate from the Section on Chemistry, 2005-2007.
Board of Trustees, Gordon Research Conferences, 2006-2011.
9/29/10
William A. Lester, Jr.
18
National Science Foundation Panel on Theoretical and Computational Chemistry,
2008.
National Institutes of Health Molecular Structure and Function Study Section,
2007-present.
OTHER NATIONAL PROFESSIONAL ACTIVITIES (Diversity Focus)
Invited Speaker, Staff Training in Extramural Programs Committee Forum,
“Minority Programs Under Fire: Recent Court Decisions,” National Institutes of
Health, Bethesda, MD, March 20, 1997.
Invited Discussant and Organizing Committee Member, “Human Resource
Challenges for the 21st Century” workshop. Component of the meeting,
“Reorganizing Research and Development for the 21st Century,” funded by the
National Science Foundation and Department of Energy, Washington, D. C. April
24-26, 1997.
Invited Discussant, “Recruitment of Underrepresented Students into Predoctoral
and Postdoctoral Research Training Programs,” National Advisory General Medical
Sciences Council, National Institutes of Health, Bethesda, MD, May 15, 1997.
Chair, Gordon Research Conferences Blue Ribbon Panel on Diversity, 2006-7.
9/29/10
William A. Lester, Jr.
19
Publications
William A. Lester, Jr.
1.
W. A. Lester, Jr. and M. Krauss, "Gaussian Correlation Functions: Two Electron
Systems,'' J. Chem. Phys. 41, 1407 (1964).
2.
W. A. Lester, Jr. and M. Krauss, "Some Aspects of the Coulomb Hole of the
Ground State of H3+'' J. Chem. Phys. 44, 207 (1966).
3.
W. A. Lester, Jr. and R. B. Bernstein, "Structural Features of the S-Matrix for the
Rotational Excitation of Homonuclear Diatomic Molecules by Atom Impact:
Close-Coupled versus Approximate Computations,'' Chem. Phys. Lett. 1, 207
(1967).
4.
B. R. Johnson, D. Secrest, W. A. Lester, Jr., and R. B. Bernstein, "A Validation of
the Method of Amplitude Density Functions in Computing the S-Matrix for a
Scattering Problem,'' Chem. Phys. Lett. 1, 396 (1967).
5.
W. A. Lester, Jr. and R. B. Bernstein, "Computational Procedure for the CloseCoupled Rotational Excitation Problem: Scattering of Diatomic Molecules by
Atoms,'' J. Chem. Phys. 48, 4896 (1968).
6.
W. A. Lester, Jr., "DeVogelaere's Method for the Numerical Integration of SecondOrder Differential Equations without Explicit First Derivatives: Application to
Coupled Equations Arising from the Schrödinger Equation,'' J. Comp. Phys. 3, 322
(1968).
7.
W. A. Lester, Jr. and M. Krauss, "Interaction Potential between Li and HF ,'' J.
Chem. Phys. 52, 4775 (1970).
8.
W. A. Lester, Jr. and R. B. Bernstein, "Statistical Analysis of Transition Probability
Matrices in the Strong Coupled Rotational Excitation Problem,'' J. Chem. Phys. 53,
11 (1970).
9.
10.
+
W. A. Lester, Jr., "Interaction Potential between Li and H 2 . I. Region
Appropriate for Rotational Excitation,'' J. Chem. Phys. 53, 1511 (1970).
W. A. Lester, Jr., "Analytical Expression for the Interaction Potential between Li
and HF ,'' J. Chem. Phys. 53, 1611 (1970).
11.
+
W. A. Lester, Jr., "Interaction Potential between Li and HD : Region for
Rotational Excitation Cross Sections,'' IBM J. Res. & Devel. 15, 222 (1971).
12.
+
W. A. Lester, Jr., "Interaction Potential between Li and H2 . II. Region
Appropriate for Rotational Vibrational Excitation,'' J. Chem. Phys. 54, 3171 (1971).
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William A. Lester, Jr.
20
13. W. A. Lester, Jr., "Potential Surfaces for Internal Energy Transfer'' in Proceedings
of the Conference on Potential Energy Surfaces in Chemistry, p. 113 (1971).
Available as RA-18 from the Research Library, IBM Research Laboratory, San
Jose, California 95193.
14. W. A. Lester, Jr., "Thermal Energy Li + − H2 Collisions,'' Abstracts of the VII
International Conference on the Physics of Electronic and Atomic Collisions (North
Holland, Amsterdam), p. 247 (1971).
15. W. A. Lester, Jr., "Calculation of Cross Sections for Rotational Excitation of
Diatomic Molecules by Heavy Particle Impact: Solution of the Close-Coupled
Equations,'' Methods in Computational Physics, 10, 211 (1971).
16. W. A. Lester, Jr. and J. Schaefer, "Rotational Excitation of H2 by Li+ Collisions
below the First Vibrational Threshold,'' Bull. Am. Phys. Soc. 17 , 1142 (1972).
17. J. Schaefer and W. A. Lester, Jr., "Vibration-Rotation Excitation of H2 by Li+
Collisions,'' Bull. Am. Phys. Soc. 17, 1142 (1972).
18. W. A. Lester, Jr., "The Accurate Calculation of Cross-Sections for Non-Reactive
Molecular Collisions'' in Computing as a Language of Physics, International
Atomic Energy Agency, Vienna, Austria, p. 375 (1972).
19. J. Schaefer and W. A. Lester, Jr., "Effect of Rotation on Vibrational Excitation of
H2 by Li+ Impact,'' Chem. Phys. Lett. 20, 575 (1973).
20. J. Schaefer and W. A. Lester, Jr., "Cross Sections for Vibrational Excitation of
H2 by Li+ Impact,'' Abstracts of the VIII International Conference on the Physics
of Electronic and Atomic Collisions (Institute of Physics, Beograd, Yugoslavia), p.
91 (1973).
21. W. A. Lester, Jr. and J. Schaefer, "Coupled-Channel Calculations of Rotational
Excitation of H2 and Li + Collisions,'' Abstracts of the VIII International
Conference on the Physics of Electronic and Atomic Collisions (Institute of
Physics, Beograd, Yugoslavia), p. 92 (1973).
22. W. A. Lester, Jr. and J. Schaefer, "Coupled Channel Study of Rotational Excitation
of H2 by Li+ Collisions,'' J. Chem. Phys. 59, 3676 (1973).
23. J. Schaefer, W. A. Lester, Jr., D. Kouri, and C. A. Wells, "Anharmonicity in
Rotational and Vibrational Excitation of H2 by Li+ Collisions,'' Chem. Phys. Lett.
24, 185 (1974).
24. W. A. Lester, Jr. and J. Schaefer, "Rotational Transitions in H2 by Li+ Collisions
at Ecm = 0.6 eV: Comparison with Experiment,'' Bull. Am. Phys. Soc. 19, 261
(1974).
25. A. C. Yates and W. A. Lester, Jr., "A New H3 Potential Energy Surface and Its
Implications for Chemical Reaction,'' Chem. Phys. Lett. 24, 305 (1974).
9/29/10
William A. Lester, Jr.
21
26. W. A. Lester, Jr. and J. Schaefer, "Rotational Transitions in H2 by Li+ Collisions
at Ecm = 0.6 eV; Comparison with Experiment,'' J. Chem. Phys. 60, 1672 (1974).
27. B. J. Garrison, H. F. Schaefer, III, and W. A. Lester, Jr., "Molecular Properties of
˜ 1A′′ States of Formaldehyde,'' J. Chem.
Excited Electronic States: The a˜ 3A′′ and A
Phys. 61, 3039 (1974).
28. J. Schaefer and W. A. Lester, Jr., "Theoretical Study of Inelastic Scattering of
H2 and Li + on SCF and CI Potential Energy Surfaces,'' J. Chem. Phys. 62, 1913
(1975).
29. W. A. Lester, Jr., "Coupled-Channel Studies of Rotational and Vibrational Energy
Transfer by Collision,'' Adv. Quant. Chem. 9, 199 (1975).
30. B. J. Garrison and W. A. Lester, Jr., "Cross Sections for Rotational Excitation of
H2 CO by He Impact at Low Energies,'' Abstracts of the IXth International
Conference on the Physics of Electronic and Atomic Collisions (University of
Washington Press, Seattle, Washington), p. 55 (1975).
31. S. Green, B. J. Garrison, and W. A. Lester, Jr., "Hartree-Fock and Gordon-Kim
Interaction Potentials for Scattering of Closed-Shell Molecules by Atoms:
+
(H2 CO, He) and (H 2 , Li ) ," J. Chem. Phys. 63, 1154 (1975).
32. B. J. Garrison, W. A. Lester, Jr., and H. F. Schaefer, III, "A Hartree-Fock
Interaction Potential between a Rigid Asymmetric Top and a Spherical Atom:
(H2 CO, He) ,'' J. Chem. Phys. 63, 1449 (1975).
33. B. J. Garrison, W. A. Lester, Jr., W. H. Miller, and S. Green, "Cooling of the 6-cm
and 2-cm Doublets of Interstellar H2 CO by Collision: An Accurate QuantumMechanical Calculation,'' Astrophys. J. 200, L175 (1975).
34. B. J. Garrison, W. A. Lester, Jr., P. Siegbahn, and H. F. Schaefer, III, "Effect of
Electron Correlation on the H 2 CO − He Interaction Potential,'' J. Chem. Phys. 63,
4167 (1975).
35. F. Rebentrost and W. A. Lester, Jr., "Nonadiabatic Effects in the Collision of
F( 2 P) with H2 (1 Σ +g ) . I. SCF Interaction Potentials for the 12 A′, 2 2 A ′ and 2 A′′
States in the Reactant Region,'' J. Chem. Phys. 63, 3737 (1975).
36. F. Rebentrost and W. A. Lester, Jr., "Nonadiabatic Effects in the Collision of
F( 2 P) with H 2 (1 Σ +g ) . II. Born-Oppenheimer and Angular Momentum Coupling
in Adiabatic and Diabatic Representations,'' J. Chem. Phys. 64, 3879 (1976).
37. F. Rebentrost and W. A. Lester, Jr., "Resonant Electronic-to-Rotational Energy
Transfer. Quenching of F( 2 P 1/2 ) by H 2 (j = 0) ,'' J. Chem. Phys. 64 , 4223 (1976).
38. W. A. Lester, Jr., "Computer in Chemistry'' in A Century of Chemistry, American
Chemical Society, Washington, D. C., p. 286 (1976).
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William A. Lester, Jr.
22
39. A. S. Dickenson, D. J. Kouri, C. A. Wells, and W. A. Lester, Jr., "An Eigenphase
Study of the Resonances in the Rotational Excitation of H2 by Li+ Immediately
above the j = 2 Threshold,'' J. Chem. Phys. 65, 1501 (1976).
40. W. A. Lester, Jr., "The N Coupled-Channel Problem'' in Modern Theoretical
Chemistry, vol. 3, Plenum Press, New York, p. 1 (1976).
41. B. J. Garrison, W. A. Lester, Jr., and W. H. Miller, "Coupled-Channel Study of
Rotational Excitation of a Rigid Asymmetric Top by Atom Impact: (H 2 CO, He) at
Interstellar Temperatures,'' J. Chem. Phys. 65 , 2193 (1976).
42. R. E. Howard, A. C. Yates, and W. A. Lester, Jr., "Collinear Classical Dynamics on
a Chemically Accurate H + H2 Potential Energy Surface,'' J. Chem. Phys. 66,
1960 (1977).
43. B. J. Garrison and W. A. Lester, Jr., "Coupled States Cross Sections for Rotational
Excitation of H 2 CO by He Impact at Interstellar Temperatures,'' J. Chem. Phys. 66,
531 (1977).
44. A. W. Raczkowski and W. A. Lester, Jr., "Extension of a He − H 2 Potential
Energy Surface, "Chem. Phys. Lett. 47, 45 (1977).
45. F. Rebentrost and W. A. Lester, Jr., "Nonadiabatic Effects in the Collision of
F( 2 P) with H 2 (1 Σ +g ) . III. Scattering Theory and Coupled-Channel
Computations,'' J. Chem. Phys. 67, 3367 (1977).
46. F. Rebentrost and W. A. Lester, Jr., "Scattering Theory and Coupled-Channel
Computations of Multiple-Surface Transitions in Nonreactive Collisions of F( 2 P)
with H 2 (1 Σ +g ) ,'' Abstracts of the Xth International Conference on the Physics of
Electronic and Atomic Collisions (Commissariat a l´Energie Atomique, Paris,
France), p. 766 (1977).
47. S. Green, B. J. Garrison, W. A. Lester, Jr., and W. H. Miller, "Collisional Excitation
of Interstellar Formaldehyde,'' Astrophys. J. (Supplement Series) 37, 321 (1978).
48. A. W. Raczkowski, W. A. Lester, Jr., and W. H. Miller, "Vibrational Relaxation in
the Para H2 − 4 He System: Comparison and Coupled-Channel, Coupled-States,
and Effective Potential Methods,'' J. Chem. Phys. 69, 2692 (1978).
49. L. D. Thomas, W. A. Lester, Jr., and F. Rebentrost, "Classical Path Study of
Nonadiabatic Transitions in Atom-Molecule Scattering: Quenching of F( 2 P 1/2 ) by
H2 ,'' J. Chem. Phys. 69, 5489 (1978).
50. R. E. Howard and W. A. Lester, Jr., "Ab Initio Calculation of Potential Energy
˜ 1A′ Potential Energy Surfaces of the
Surfaces of the 1A ′, 3A ′′, 1A ′′ , and B
3 1
1 +
O( P, D) + H2 ( Σ g ) Reaction,'' Bull. Am. Phys. Soc. 23, 1108 (1978).
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William A. Lester, Jr.
23
51. R. Schinke and W. A. Lester, Jr., "Trajectory Studies of O + H2 Reactions on
Fitted ab initio Surfaces. I. Triplet Case,'' J. Chem. Phys. 70, 4893 (1979).
52. C. H. Becker, P. Casavecchia, Y. T. Lee, R. E. Olson, and W. A. Lester, Jr.,
"Coupled-Channel Study of Halogen (2P) + Rare Gas (1S) Scattering,'' J. Chem.
Phys. 70, 5477 (1979).
53.
A. C. Luntz, R. Schinke, W. A. Lester, Jr., and Hs. H. Gunthard, "Product State
Distributions in the Reaction O(1 D2 ) + H 2 → OH + H : Comparison of
Experiment with Theory,'' J. Chem. Phys. 70, 5908 (1979).
54. R. E. Howard, A. D. McLean, and W. A. Lester, Jr., "Extended Basis First-Order CI
˜ 1A′ Potential Energy Surfaces of the
Study of the 1A ′, 3A ′′, and B
3 1
1 +
O( P, D) + H2 ( Σ g ) Reaction,'' J. Chem. Phys. 71, 2412 (1979).
55. R. Schinke and W. A. Lester, Jr., "Trajectory Studies of O + H2 Reactions on
Fitted ab initio Surfaces. II. Singlet Case,'' J. Chem. Phys. 72, 3754 (1980).
56. R. Schinke, M. Dupuis, and W. A. Lester, Jr., "Proton-H2 Scattering on an ab initio
Potential Energy Surface. I. Vibrational Excitation at 10 eV,'' J. Chem. Phys. 72,
3909 (1980).
57. W. A. Lester, Jr., "Recent Developments in Computational Chemistry in the US:
The NRCC (National Resource for Computation in Chemistry)'' in Computational
Methods in Chemistry (Plenum, New York), p. 301 (1980).
58. W. A. Lester, Jr., "De Vogelaere's Method'' in Algorithms and Computer Codes for
Atomic and Molecular Quantum Scattering Theory, ed. by L. D. Thomas, vol. 1, p.
105 (1980). Available as LBL-9501, UC-4, Conf.-790696 from the National
Technical Information Services.
59. L. D. Thomas, M. H. Alexander, B. R. Johnson, W. A. Lester, Jr., J. C. Light, K. D.
McLenithan, G. A. Parker, M. J. Redmon, T. G. Schmaltz, D. Secrest, and R. B.
Walker, "Comparison of Numerical Methods for Solving the Second-Order
Differential Equations of Molecular Scattering Theory,'' J. Comp. Phys. 41, 407
(1981).
60. V. Z. Kresin and W. A. Lester, Jr., "A New Adiabatic Approach to the
Photodissociation of Polyatomic Molecules,'' Int. J. Quantum Chem. Quantum
Chem. Symp. 15, 703 (1981).
61. Y. Osamura, H. F. Schaefer III, M. Dupuis, and W. A. Lester, Jr., "A Unimolecular
Reaction ABC → A + B + C Involving Three Product Molecules and a Single
Transition State. Photodissociation of Glyoxal:
HCOHCO → H 2 + CO + CO ,'' J. Chem. Phys. 75, 5828 (1981).
62. M. Dupuis, J. J. Wendoloski, T. Takada, and W. A. Lester, Jr., "Theoretical Study
of Electrophilic Addition: O(3 P) + C 2H4 ,'' J. Chem. Phys. 76, 481 (1982).
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William A. Lester, Jr.
24
63. M. Dupuis, J. J. Wendoloski, and W. A. Lester, Jr., "Electronic Structure of Vinoxy
Radical CH 2 CHO ,'' J. Chem. Phys. 76, 488 (1982).
64. A. S. Dickinson, M. S. Lee, and W. A. Lester, Jr., "Close-Coupling Calculation of
Li + − H 2 Diffusion Cross Sections,'' J. Phys. B 15, 1371 (1982).
65. V. Z. Kresin and W. A. Lester, Jr., "Theory of Polyatomic Photodissociation.
Adiabatic Description of the Dissociative State and the Translation-Vibration
Interaction,'' J. Phys. Chem. 86, 2182 (1982).
66. W. A. Lester, Jr., M. Dupuis, T. J. O'Donnell, and A. J. Olson, "Some
Computational Trends in Theoretical Chemistry,'' IUPAC Frontiers of Chemistry,
Pergamon Press, New York, p. 159 (1982).
67. V. Z. Kresin and W. A. Lester, Jr., "Inverse Vibrational Distributions of
Photofragments,'' Chem. Phys. Lett. 87, 392 (1982).
68. P. J. Reynolds, D. M. Ceperley, B. J. Alder, and W. A. Lester, Jr., "Fixed-Node
Quantum Monte Carlo for Molecules,'' J. Chem. Phys. 77, 5593 (1982).
69. W. A. Lester, Jr. and V. Z. Kresin, "A New Theoretical Method for Polyatomic
Photodissociation,'' Bull. Am. Phys. Soc. 28, 556 (1983).
70. W. A. Lester, Jr., book review, Potential Energy Surfaces and Dynamics
Calculations for Chemical Reactions and Molecular Energy Transfer, D. G.
Truhlar ed., in American Scientist, 71, 214 (1983).
71. W. A. Lester, Jr., testimony on "Computers and Their Role in Energy Research:
Current Status and Future Needs'' in Hearings before the Subcommittee on Energy
Development and Applications and the Subcommittee on Energy Research and
Production of the Committee on Science and Technology, U. S. House of
Representatives, Ninety-Eighth Congress, June 14 and 15, 1983, No. 20, U. S.
Government Printing Office, Washington, D. C., 1983.
72. M. Dupuis, W. A. Lester, Jr., B. H. Lengsfield, III, and B. Liu, "Formaldehyde: ab
initio MCSCF + CI Transition State for H 2 CO → CO + H 2 on the S0 Surface,''
J. Chem. Phys. 79, 6167 (1983).
73. M. Dupuis and W. A. Lester, Jr., "Hydrogen Atom Migration in the Oxidation of
Aldehydes: O(3 P) + H2 CO ,'' J. Chem. Phys. 80, 4193 (1984).
74. M. Dupuis and W. A. Lester, Jr., "Hydrogen Atom Abstraction from Aldehydes:
OH + H 2CO and O + H 2CO ,'' J. Chem. Phys. 81, 847 (1984).
75. P. J. Reynolds and W. A. Lester, Jr., "Chemical Application of Diffusion Quantum
Monte Carlo,'' NASA Conference Pub. 2295, CYBER 200 Applications Seminar,
103 (1984).
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William A. Lester, Jr.
25
76. R. M. Grimes, M. Dupuis, and W. A. Lester, Jr., "Static Dipole Polarizability of
˜ 1Σ + ) ,'' Chem. Phys. Lett. 110, 247
Electronically Excited Molecules: H2 (B
u
(1984).
77. V. Z. Kresin and W. A. Lester, Jr., "Reaction Hamiltonian and the Adiabatic
Approach to the Dynamics of Chemical Reaction,'' Chem. Phys. 90, 335 (1984).
78. V. Z. Kresin, W. A. Lester, Jr., M. Dupuis, and C. E. Dateo, "Chemical Reaction as
a Quantum Transition,'' Int. J. Quantum Chem. Quantum Chem. Symp. 18, 691
(1984).
79. P. J. Reynolds, R. N. Barnett, and W. A. Lester, Jr., "Quantum Monte Carlo Study
of the Classical Barrier Height for the H + H2 Exchange Reaction: Restricted
versus Unrestricted Trial Functions,'' Int. J. Quantum Chem. Quantum Chem.
Symp. 18, 709 (1984).
80. P. J. Reynolds, M. Dupuis, and W. A. Lester, Jr., "Quantum Monte Carlo
Calculations of the Singlet-Triplet Splitting in Methylene,'' J. Chem. Phys. 82, 1983
(1985).
81. R. N. Barnett, P. J. Reynolds, and W. A. Lester, Jr., " H + H2 Reaction Barrier: A
Fixed-Node Quantum Monte Carlo Study,'' J. Chem. Phys. 82, 2700 (1985).
82. C. E. Dateo, M. Dupuis, and W. A. Lester, Jr., "Ab Initio Study of Cyanogen: The
˜ 1Π States,'' J. Chem. Phys. 83, 265 (1985).
˜ 1Σ + , ˜a 3Σ + , B
˜ 1Δ , and C
X
g
u
u
u
83. V. Z. Kresin and W. A. Lester, Jr., "The Adiabatic Method in the Theory of ManyBody Systems'' in Mathematical Analysis of Physical Systems, ed. R. E. Mickens
(Van Nostrand Reinhold, New York), p. 247 (1985).
84. W. A. Lester, Jr., V. Z. Kresin, and C. E. Dateo, "Adiabatic Approach in the Theory
of Polyatomic Photodissociation: Application to C2 N 2 ,'' in Proceedings of the
International Conference on Lasers `84, eds., K. M. Corcoran, D. M. Sullivan, and
W. C. Stwalley (STS Press, McLean, Virginia), p. 499 (1985).
85. M. Dupuis and W. A. Lester, Jr., "Low-Lying Electronic States of Nitrosyl Cyanide
(NCNO): An ab initio MCHF Study,'' J. Chem. Phys. 83, 3990 (1985).
86. V. Z. Kresin and W. A. Lester, Jr., "Quantum Theory of Polyatomic Photodissociation,'' Adv. in Photochem. 13, 95 (1986).
87. M. Dupuis, G. Fitzgerald, B. Hammond, W. A. Lester, Jr., and H. F. Schaefer, III,
"Theoretical Study of the H + O3 ↔ OH + O2 ↔ O + HO 2 System,'' J.
Chem. Phys. 84, 2691 (1986).
88. P. J. Reynolds and W. A. Lester, Jr., "Quantum Monte Carlo for Molecules,''
Physics Today 39, S-14 (1986).
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William A. Lester, Jr.
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89. R. N. Barnett, P. J. Reynolds, and W. A. Lester, Jr., "Electron Affinity of Flourine:
A Quantum Monte Carlo Study,'' J. Chem. Phys. 84, 4992 (1986).
90. P. J. Reynolds, R. N. Barnett, B. L. Hammond, R. M. Grimes, and W. A. Lester, Jr.,
"Quantum Chemistry by Quantum Monte Carlo: Beyond Ground-State Energy
Calculations,'' Int. J. Quantum Chem. 29, 589 (1986).
91. R. M. Grimes, W. A. Lester, Jr., and M. Dupuis, "Coupled-Channel Study of
Rotational Excitation of an Electronically Excited Diatomic Molecule by Atom
Impact: He(1S) + H2 (B 1Σ+u ) ,'' J. Chem. Phys. 84, 5437 (1986).
92. P. J. Reynolds, R. N. Barnett, B. L. Hammond, and W. A. Lester, Jr., "Molecular
Physics and Chemistry Applications of Quantum Monte Carlo,'' J. Stat. Phys. 43,
1017 (1986).
93. R. M. Grimes, B. L. Hammond, P. J. Reynolds, and W. A. Lester, Jr., "Quantum
Monte Carlo Approach to Electronically Excited Molecules,'' J. Chem. Phys. 84,
4749 (1986).
94. P. J. Reynolds, S. Alexander, D. Logan, and W. A. Lester, Jr., "Vector and Parallel
Computers for Quantum Monte Carlo Computations'' in Supercomputer Simulation
in Chemistry, Lecture Notes in Chemistry, M. Dupuis, ed., Springer-Verlag,
Berlin/New York, vol. 44, p. 280 (1986).
95. C. E. Dateo, V. Z. Kresin, M. Dupuis, and W. A. Lester, Jr., "Photodissociation as a
˜ 1Π )
Quantum Transition: Photofragment Vibrational Distributions of C2 N2 (C
u
Predissociation,'' J. Chem. Phys. 86, 2639 (1987).
96. M. Dupuis and W. A. Lester, Jr., "One-Electron Property from MCHF
Wavefunction: The Dipole Moment of Ozone,'' Theor. Chim. Acta 71, 255 (1987).
97. R. N. Barnett, P. J. Reynolds, and W. A. Lester, Jr., "Is Quantum Monte Carlo
Competitive? Lithium Hydride Test Case,'' J. Phys. Chem. 91, 2004 (1987).
98. B. L. Hammond, P. J. Reynolds, and W. A. Lester, Jr., "Valence Quantum Monte
Carlo with ab initio Effective Core Potentials,'' J. Chem. Phys. 87, 1130 (1987).
99. P. J. Reynolds, R. K. Owen, and W. A. Lester, Jr., "Is There a Zeroth Order TimeStep Error in Diffusion Quantum Monte Carlo?,'' J. Chem. Phys. 87, 1905 (1987).
100. V. Z. Kresin and W. A. Lester, Jr., "On the Mechanism of Singlet-Triplet
Transitions,'' Chem. Phys. Lett. 138, 59 (1987).
101. M. N. Ramos, C. A. Taft, J. G. R. Tostes, and W. A. Lester, Jr., "An ab initio
Spectroscopic Study of the HCN...HCN and HCN...HNC Linear Complexes,'' J.
Mol. Struct. 175, 303 (1988).
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102. P. R. Seidl, K. Z. Leal, J. G. R. Tostes, C. A. Taft, B. L. Hammond, and W. A.
Lester, Jr., "An ab initio Investigation of the Effects of 2-Exo and Endo
Substituents on Norbornane,'' Chem. Phys. Lett. 147, 373 (1988).
103. J. G. R. Tostes, C. A. Taft, M. N. Ramos, and W. A. Lester, Jr., "Role of
Polarization Functions on the Bridge Hydrogen Atom in HCN...HCN,'' Int. J.
Quantum Chem. 34, 85 (1988).
104. C. A. Taft, J. C. Azevedo, J. G. R. Tostes, and W. A. Lester, Jr., "Ab Initio Studies
of the Linear Complex HC3N...HC3N ,'' J. Mol. Struct. (Theochem) 168, 169
(1988).
105. B. L. Hammond, P. J. Reynolds, and W. A. Lester, Jr., "Damped-Core Quantum
Monte Carlo Method: Effective Treatment for Large-Z Systems,'' Phys. Rev. Lett.
61, 2312 (1988).
106. M. Braga, A. L. Almeida, C. A. Taft, B. L. Hammond, and W. A. Lester, Jr.,
"Theoretical Study of the Interaction of Fe, Fe+, and FeCO with Ar,'' J. Chem.
Phys. 89, 4867 (1988).
107. M. Braga. S. K. Lie, C. A. Taft, and W. A. Lester, Jr., "Electronic Structure,
Hyperfine Interactions, and Magnetic Properties for Iron Octahedral Sulfides,''
Phys. Rev. B 38, 10837 (1988).
108. Z. Sun, P. J. Reynolds, R. K. Owen, and W. A. Lester, Jr., "Monte Carlo Study of
Electron Correlation Functions for Small Molecules,'' Theo. Chim. Acta 75, 353
(1989).
109. V. Z. Kresin and W. A. Lester, Jr., "Reaction Hamiltonian Method for Chemical
Reactions: Effect of Indistinguishable Nuclei,'' Chem. Phys. Lett. 159, 297 (1989).
110. A. C. Pavao, C. A. Taft, B. L. Hammond, and W. A. Lester, Jr., "Molecular Cluster
Model for Magnetic Iron,'' Phys. Rev. B 40, 2879 (1989).
111. P. Pernot, R. M. Grimes, W. A. Lester, Jr., and Ch. Cerjan, "Quantum TimeDependent Study of the Scattering of He by H2 (B 1Σ +u ) ,'' Chem. Phys. Lett. 163,
297 (1989).
112. V. Z. Kresin and W. A. Lester, Jr., "Nonadiabatic Hamiltonian for ElectronicVibrational Coupling,'' Int. J. Quan. Chem. Quantum Chem. Symp. 23, 17 (1989).
113. S.-Y. Huang, Z. Sun, and W. A. Lester, Jr., "Optimized Trial Functions for
Quantum Monte Carlo,'' J. Chem. Phys. 92, 597 (1990).
114. P. R. Seidl, K. Z. Leal, J. W. M. Carneiro, J. G. R. Tostes, C. A. Taft, B. L.
Hammond, and W. A. Lester, Jr., "Ab Initio Charge Distributions in Half-Cage
Compounds,'' J. Mol. Struct. (Theochem) 204, 183 (1990).
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115. B. Kim, B. L. Hammond, W. A. Lester, Jr., and H. S. Johnston, "Ab Initio Study of
Vibrational Spectra of NO 3 ,'' Chem. Phys. Lett. 168, 131 (1990).
116. B. Bernu, D. M. Ceperley, and W. A. Lester, Jr., "The Calculation of Excited States
with Quantum Monte Carlo. II. Vibrational Excited States,'' J. Chem. Phys. 93,
552 (1990).
117. B. L. Hammond, W. A. Lester, Jr., M. Braga, and C. A. Taft, "Theoretical Study of
the Interaction of Ionized Transition Metals (Cr, Mn, Fe, Co, Ni, Cu) with Argon,''
Phys. Rev. B 41, 10 447 (1990).
118. Z. Z. Yang, L. S. Wang, Y. T. Lee, D. A. Shirley, S.-Y. Huang, and W. A. Lester,
Jr., "Molecular Beam Photoelectron Spectroscopy of Allene,'' Chem. Phys. Lett.
171, 9 (1990).
119. Z. Sun, S.-Y. Huang, R. N. Barnett, and W. A. Lester, Jr., "Wavefunction
Optimization with a Fixed Sample in Quantum Monte Carlo,'' J. Chem. Phys. 93,
3326 (1990).
120. B. L. Hammond, S.-Y. Huang, W. A. Lester, Jr., and M. Dupuis, "Theoretical Study
of the O(3 P) + Allene Reaction,'' J. Phys. Chem. 94, 7969 (1990).
121. W. A. Lester, Jr. and B. L. Hammond, "Quantum Monte Carlo for the Electronic
Structure of Atoms and Molecules,'' Annu. Rev. Phys. Chem. 41, 283 (1990).
122. W. A. Lester, Jr., "Supercomputing and Research in Theoretical Chemistry,'' in
Energy Sciences Supercomputing 1990, National Energy Research Supercomputer
Center, Lawrence Livermore National Laboratory, Livermore, California, 1990.
123. A. C. Pavao, M. Braga, C. A. Taft, B. L. Hammond, and W. A. Lester, Jr.,
"Theoretical Study of the CO Interaction with 3d Metal Surface,'' Phys. Rev. B 43,
6962 (1991).
124. P. Pernot and W. A. Lester, Jr., "Quantum Time-Dependent Treatment of Molecular
Collisions: Scattering of Ηe by H2 (B 1Σ +u ) ,'' Comput. Phys. Comm. 63, 259
(1991).
125. A. C. Pavao, M. Braga, C. A. Taft, B. L. Hammond, and W. A. Lester, Jr.,
"Theoretical Study of the CO Interaction with the Fe(100) Surface,'' Phys. Rev. B
44, 1910 (1991).
126. P. Pernot and W. A. Lester, Jr., "Multidimensional Wave-Packet Analysis:
Splitting Method for Time-Resolved Property Determination,'' Int. J. Quan. Chem.
40, 577 (1991).
127. B. L. Hammond, M. M. Soto, R. N. Barnett, and W. A. Lester, Jr., "On Quantum
Monte Carlo for the Electronic Structure of Molecules,'' J. Molec. Struct.
(Theochem) 234, 525 (1991).
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128. R. N. Barnett, P. J. Reynolds, and W. A. Lester, Jr., "Monte Carlo Algorithms for
Expectation Values of Coordinate Operators,'' J. Comput. Phys. 96, 258 (1991).
129. R. N. Barnett, P. J. Reynolds, and W. A. Lester, Jr., "Computation of Transition
Dipole Moments by Monte Carlo,'' J. Chem. Phys. 96, 2141 (1992).
130. Z. Sun, R. N. Barnett, and W. A. Lester, Jr., "Optimization of a Multideterminant
Wave Function for Quantum Monte Carlo,'' J. Chem. Phys. 96, 2422 (1992).
131. J. S. Francisco, Y. Zhao, W. A. Lester, Jr., and I. H. Williams, "Theoretical Studies
of the Structure and Thermochemistry of FO 2 Radical: Comparison of MollerPlesset Perturbation, Complete-Active-Space Self-Consistent-Field, and Quadratic
Configuration Interaction Methods,'' J. Chem. Phys. 96, 2861 (1992).
132. R. N. Barnett, P. J. Reynolds, and W. A. Lester, Jr., "Monte Carlo Determination of
the Oscillator Strength and Excited State Lifetime for the Li 22 S → 22 P
Transition,'' Int. J. Quantum Chem. 42, 837 (1992).
133. Z. Sun, R. N. Barnett, and W. A. Lester, Jr., "Quantum and Variational Monte Carlo
Interaction Potentials for Li 2 (X 1Σ +g ) ,'' Chem. Phys. Lett. 195, 365 (1992).
134. V. Z. Kresin and W. A. Lester, Jr., "A Quantum Mechanical Model of
Heterogeneous Catalysis,'' Chem. Phys. Lett. 197, 1 (1992).
135. Z. Sun, W. A. Lester, Jr., and B. L. Hammond, "Correlated Sampling of Monte
Carlo Derivatives with Iterative-Fixed Sampling,'' J. Chem. Phys. 97, 7585 (1992).
136. W. A. Glauser, W. R. Brown, W. A. Lester, Jr., D. Bressanini, B. L. Hammond, and
M. L. Kosykowski, "Random-Walk Approach to Mapping Nodal Regions of NBody Wave Functions: Ground-State Hartree-Fock Wave Functions for Li-C," J.
Chem. Phys. 97, 9200 (1992).
137. J. W. de M. Carneiro, P. R. Seidl, J. G. R. Tostes, C. A. Taft, B. L. Hammond, M.
M. Soto, and W. A. Lester, Jr., "The Effects of Lone Pairs on Charge Distribution
in the Tetracyclic Norbornyl Derivatives," Chem. Phys. Lett. 202, 278 (1993).
138. J. A. Odutola, W. A. Lester, Jr., and R. M. Grimes, "Reorientation Cross Sections in
Collisions of He(1S) + H2 (B 1Σ +u ) ," J. Chem. Phys. 99, 2632 (1993).
139. Z. Sun, M. M. Soto, and W. A. Lester, Jr., "Characteristics of Electron Movement
in Variational Monte Carlo Simulations," J. Chem. Phys. 100, 1278 (1994).
140. J.G.R. Tostes, J. W. de M. Carneiro, S. K. Lie, P. R. Seidl, C. A. Taft, M. M. Soto,
W. A. Lester, Jr., and B. L. Hammond, "Hyperconjugation and Charge Distribution
in Alicyclic Alcohols and Exo- and Endo-Norbornol," J. Mol. Struct. (Theochem),
306, 101 (1994).
141. B. L. Hammond, W. A. Lester, Jr., and P. J. Reynolds, Monte Carlo Methods in Ab
Initio Quantum Chemistry, World Scientific (Singapore, 1994).
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142. Z. Sun, M. M. Soto, R. N. Barnett, and W. A. Lester, Jr., "An Approach for
Improved Variational Quantum Monte Carlo," J. Chem. Phys. 101, 394 (1994).
143. A. C. Pavão, M. M. Soto, W. A. Lester, Jr., S. K. Lie, B. L. Hammond, and C. A.
Taft, "Molecular States of CO Interaction with 3d-Metal Surfaces," Phys. Rev. B
50, 1868 (1994).
144. J.A. Odutola and W.A. Lester, Jr., "Molecular Reorientation in Cross Sections in
Collisions of He (1S) + H2( B1Σ +u ), HD( B1Σ +u )," J. Chem. Phys. 101, 9619 (1994).
145. A.C. Pavão, B.L. Hammond, M.M. Soto, W.A. Lester, Jr., and C.A. Taft,
"Theoretical Study of the CO Interaction with the Cr (110) Surface," Surf. Sci. 323,
340 (1995).
146. R.N. Barnett, E.M. Johnson, and W.A. Lester, Jr., "Quantum Monte Carlo
2
2
Determination of the Lithium 2 S →2 P Oscillator Strength: Higher Precision,"
Phys. Rev. A 51, 2049 (1995).
147. J. Glauco, R. Tostes, P.R. Seidl, M.M. Soto, J.W. de M. Carneiro, S.K. Lie, C.A.
Taft, W. Brown, and W.A. Lester, Jr., "Ab Initio Studies of Hyperconjugation
Effects on Charge Distribution in Tetracyclododecane Alcohols," Chem. Phys.
Letters 237, 33 (1995).
148. W.A. Lester, Jr., "Quantum Monte Carlo for Molecules: Method and Applications"
in Proceedings, Sixth Annual Conference of the National Alliance of Research
Centers of Excellence, p. 6 (1994). Available from The Center for Theoretical
Studies of Physical Systems, Clark Atlanta University, Atlanta, Georgia.
149. A. C. Pavão, C. A. Taft, T. C. Guimarães, and W. A. Lester, Jr., "Breaking Bonds
of Diatomic Molecules on Transition Metal Surfaces," in Recent Trends in
Chemical Physics 3, 109 (1994).
150. W. R. Brown, W. A. Glauser, and W. A. Lester, Jr., "Quantum Monte Carlo for
Floppy Molecules. Vibrational States of C3," J. Chem. Phys. 103, 9721 (1995).
151. C. A. Taft, P. R. Seidl, J. G. R. Tostes, S. K. Lie, J. W. de M. Carneiro, and W. A.
Lester, Jr., "Ab Initio Study of Hyperconjugation Effects on Charge Distribution in
Representative Polycyclic Alcohols," Chem. Phys. Letters 248, 158 (1996).
152. C. W. Greeff, W. A. Lester, Jr., and B. L. Hammond, "Electronic States of Al and
Al2 using Quantum Monte Carlo with an Effective Core Potential," J. Chem. Phys.
104, 1973 (1996).
153. J. G. R. Tostes, P. R. Seidl, C. A. Taft, S. K. Lie, J. W. De M. Carneiro, W. Brown,
and W. A. Lester, Jr., “Carbon-Carbon and Carbon-Hydrogen Hyperconjugation in
Neutral Alcohols,” J. Mol. Struct. (Theochem) 388, 85 (1996).
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154. C. W. Greeff and W. A. Lester, Jr., “Quantum Monte Carlo Binding Energies for
Silicon Hydrides,” J. Chem. Phys 106, 6412 (1997).
155. R. N. Barnett and W. A. Lester, Jr., “Quantum Monte Carlo and Electronic
Structure,” Computational Chemistry: Review of Current Trends, J. Leszczynski,
ed. World Scientific Publishing (Singapore), p. 125 (1997).
156. W. A. Lester, Jr., Editor, Recent Advances in Quantum Monte Carlo Methods,
World Scientific (Singapore, 1997).
157. C. W. Greeff, W. A. Lester, Jr, and B. L. Hammond., “Quantum Monte Carlo with
Pseudopotentials for Electronic Structure of Atoms and Molecules” in Recent
Advances in Quantum Monte Carlo Methods, W. A. Lester, Jr., Ed. World
Scientific Publishing (Singapore), p. 117 (1997).
158. R. N. Barnett, Z. Sun, and W. A. Lester, Jr., “Fixed-Sample Optimization in
Quantum Monte Carlo Using a Probability Density Function,” Chem. Phys. Letters,
273, 321 (1997).
159. T. C. Guimarães, A. C. Pavão, C. A. Taft, and W. A. Lester, Jr., “Interaction
Mechanism of N2 with the Cr (110) Surface,” Phys. Rev. B 56, 7001 (1997).
160. C. W. Greeff and W. A. Lester, Jr., “A Soft Hartree-Fock Pseudopotential for
Carbon with Application to Quantum Monte Carlo,” J. Chem. Phys. 109, 1607
(1998).
161. W. A. Lester, Jr. and R. N. Barnett, “Quantum Monte Carlo Methods for Electronic
Structure,” in "The Encyclopedia of Computational Chemistry," P. v. R. Schleyer;
N. L. Allinger, T. Clark; J. Gasteiger; P. A. Kollman; H. F. Schaefer, III; P. R.
Schreiner (Eds.); John Wiley & Sons: Chichester, 1998, 3, 1735.
162. A. L. Almeida, J. B. L. Martins, C. A. Taft, E. Longo, and W. A. Lester, Jr., “Ab
Initio and Semiempirical Studies of the Adsorption and Dissociation of Water on
Pure, Defective, and Doped MgO (001) Surfaces,” J. Chem. Phys. 109, 3671
(1998).
163. A. C. Pavao, T. C. F. Guimaraes, S. K. Lie, C. A. Taft, and W. A. Lester, Jr.,
“Modeling the Adsorption and Dissociation of CO on Transition Metal Surfaces,” J.
Mol. Struct. (Theochem) 458, 99 (1999).
164. A. L. Almeida, J. B. L. Martins, C. A. Taft, E. Longo, and W. A. Lester, Jr.,
“Theoretical Study of Water Coverage on MgO Surfaces,” Int. J. Quantum Chem.
71, 153 (1999).
165. J. C. Grossman, W. A. Lester, Jr., and S. G. Louie, “Cyclopentadiene Stability:
Quantum Monte Carlo, Coupled Cluster, and Density Functional Theory
Determinations,” Mol. Phys. 96, 629 (1999).
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166. C. A. Taft, T. C. Guimarães, A. C. Pavão, and W. A. Lester, Jr., “Adsorption and
Dissociation of Diatomic Molecules on Transition Metal Surfaces,” Int. Rev. Phys.
Chem. 18, 163 (1999).
167. T. C. Guimarães, A. C. Pavão, C. A. Taft, and W. A. Lester, Jr., “Dissociation of
N2 on Chromium Alloys: A General Mechanism for Dissociation of Diatomic
Molecules, Phys. Rev. B60, 11789 (1999).
168. X. Krokidis, N. W. Moriarty, W. A. Lester, Jr., and M. Frenklach, “Propargyl
Radical: An Electron Localization Function Study,” Chem. Phys. Letters 314, 541
(1999).
169. J. C. Grossman, W. A. Lester, Jr., and S. G. Louie, “Quantum Monte Carlo and
Density Functional Theory Characterization of 2-Cyclopentenone and 3Cyclopentenone Formation from O(3P) + Cyclopentadiene, J. Am. Chem. Soc. 122,
705 (2000).
170. J. A. W. Harkless and W. A. Lester, Jr., “Quantum Monte Carlo for Atoms and
Molecules, “Proceedings of the Workshop on Contemporary Problems in
Mathematical Physics, World Scientific Publishing (Singapore), 2000, p. 153.
171. J. A. W. Harkless and W. A. Lester, Jr., “Quantum Monte Carlo Determination of
the Atomization Energy and Heat of Formation of Propargyl Radical,” J. Chem.
Phys. 113, 2680 (2000).
172. R. N. Barnett, Z. Sun, and W. A. Lester, Jr., “Improved Trial Wave Functions in
Quantum Monte Carlo: Application to Acetylene and Its Dissociation Fragments,”
J. Chem. Phys. 114, 2013 (2001).
173. A. C. Pavão, C. A Taft, T. C. F. Guimarães, M. B. C. Leão, J. R. Mohallem, and
W. A. Lester, Jr. “Interdisciplinary Applications of Pauling’s Metallic Orbital and
Unsynchronized Resonance to Problems of Modern Physical Chemistry:
Conductivity, Magnetism, Molecular Stability, Superconductivity, Catalysis,
Photoconductivity and Chemical Reaction,” (feature article), J. Phys. Chem. 105, 5
(2001).
174. C. A. Taft, E. Longo, F. Sensato, J. B. L. Martins, R. Sambrano, A. L. Almeida, and
W. A. Lester, Jr. “ Interaction of Water, Gases and Other Complexes with Metal
Oxide Surfaces,” Recent Res. Devel. Quantum Chem. 1, 105 (2000).
175. I. V. Ovcharenko, A. Aspuru-Guzik, and W. A. Lester, Jr., “Soft Pseudopotentials
for Efficient Quantum Monte Carlo Calculations: From Be to Ne and Al to Ar,” J.
Chem. Phys. 114, 7790 (2001).
176. I. V. Ovcharenko, W. A. Lester, Jr., C. Xiao, and F. Hagelberg, “Quantum Monte
Carlo Characterization of Small Cu-Doped Silicon Clusters: CuSi4 and CuSi6 ,“ J.
Chem. Phys. 114, 9028 (2001).
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177. C. Xiao, F. Hagelberg, I. Ovcharenko, and W. A. Lester, Jr., “Geometric Structures
and Stabilities of CuSin Clusters (n=8, 10, 12),” J. Mol. Struct. (THEOCHEM) 549,
181 (2001).
178. W. A. Lester, Jr., “Research Developments and Progress During the Nineties,” J.
Mol. Struct. (Theochem) 573, 55 (2001).
179. X. Krokidis, N. W. Moriarty, W. A. Lester, Jr., and M. Frenklach, “A Quantum
Monte Carlo Study of Energy Differences in C4H3 and C4 H5 Isomers,” Int. J.
Chem. Kinetics 33, 808 (2001).
180. A. L. Almeida, J. B. L. Martins, E. Longo, N. C. Furtado, C. A. Taft, J. R.
Sambrano, and W. A. Lester, Jr., “Theoretical study of MgO(001) surfaces: pure,
doped with Fe, Ca, and Al, and with and without adsorbed water,” Int. J. Quantum
Chem. 84, 705 (2001),
181. C. Xiao, F. Hagelberg, and W. A. Lester, Jr., “Geometric, Energetic and Bonding
Properties of Neutral and Charged Copper-Doped Silicon Clusters,” Phys.Rev.B 66
075425-1 (2002).
182. W. A. Lester, Jr. and J. C. Grossman, “Quantum Monte Carlo for the Electronic
Structure of Combustion Systems,” in Recent Advances in Quantum Monte Carlo –
Part II, eds., W. A. Lester, Jr., S. Rothstein, and S. Tanaka, World Scientific
Publishing, Singapore, p. 159 (2002).
183. C. Xiao, A. Abraham, R. Quinn, F. Hagelberg, and W. A. Lester, Jr., “Comparative
study on the interaction of Scandium and Copper atoms with small silicon clusters,”
J. Phys. Chem 106, 11380 (2002).
184. F. Hagelberg, C. Xiao, and W. A. Lester, Jr.,”Cage-like Si12 Clusters with
Endohedral Cu, Mo and W Metal Atom Impurities,” Phys. Rev.B 67, 35426 (2003).
185. O. El Akramine, W. A. Lester, Jr., X. Krokidis, C. A. Taft, T. C. Guimaraes, A. C.
Pavao, and R. Zhu, “Quantum Monte Carlo Study of the CO Interaction with a
Model Surface for Cr(110),” Mol. Phys. 101, 277 (2003).
186. J. A. W. Harkless, J. H. Rodriguez, L. Mitas, and W. A. Lester, Jr., "A Quantum
Monte Carlo and Density Functional Theory Study of Peroxynitrite Anion," J.
Chem. Phys. 118, 4987 (2003).
187. O. El Akramine, A. C. Kollias, and W. A. Lester, Jr., “Quantum Monte Carlo Study
of the Singlet-Triplet Transition in Ethylene,” J. Chem. Phys. 119, 1483 (2003).
188. A. C. Kollias and W. A. Lester, Jr., “Quantum Monte Carlo and Electron
Localization Function Study of the Electronic Structure of CO2+,” J. Mol. Struct.
(Theochem) 634, 1 (2003).
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189. A. Aspuru-Guzik and W. A. Lester, Jr., “Quantum Monte Carlo for the Solution of
the Schroedinger Equation for Molecular Systems,” in Special Volume
Computational Chemistry, C. Le Bris, ed., Handbook of Numerical Analysis, P. G.
Ciarlet, ed., Elsevier, 2003, p. 485.
190. C. Schuetz, M. Frenklach, A. C. Kollias, and W. A. Lester Jr., “Geometry
Optimization in Quantum Monte Carlo with Solution Mapping: Application to
Formaldehyde,” J. Chem. Phys. 119, 9386 (2003).
191. A. Aspuru-Guzik, M. H. Kalos, and W. A. Lester, Jr., “Fermion Monte Carlo Study
of the Beryllium Atom,”The Monte Carlo Method in the Physical Sciences, J. E.
Gubernatis, Ed., American Institute of Physics, 2003, p. 371.
192. A. Aspuru-Guzik, O. El Akramine, J. C. Grossman, and W. A. Lester, Jr.,
“Quantum Monte Carlo for Electronic Excitations of Free-Base Porphyrin,” J.
Chem. Phys. 120, 3049 (2004).
193. G. Hill, G. Forde, N. Hill, W. A. Lester, Jr., W. A. Sokalski, and J. Leszczynski,
“Interaction Energies in Stacked DNA Bases? How Important are Electrostatics?”
Chem. Phys. Lett. 381, 729 (2003).
194. A. C. Kollias, O. Couronne, and W. A. Lester, Jr., “Quantum Monte Carlo Study of
the Reaction: Cl + CH3OH → CH2OH + HCl,” J. Chem. Phys. 121, 1357 (2004).
195. A. Aspuru-Guzik and W. A. Lester, Jr., “Quantum Monte Carlo: Theory and
Application to Molecular Systems,” Proceedings of the International Conference
on Computational and Mathematical Methods in Science and Engineering,
CMMSE-2004, Uppsala, June 4-8, 2004, p. 100.
196. A. Aspuru-Guzik, R. Salomon-Ferrer, and W. A. Lester, Jr., "Studying Biological
Molecules with Quantum Monte Carlo: Improved scaling", Abstract, 228th ACS
National Meeting, Philadelphia, PA., August 2004.
197. W. A. Lester, Jr., Commentary on “Quantum Monte Carlo Studies on Be and LiH,”
in Molecular Quantum Mechanics, Selected papers of N. C. Handy, D. C. Clary, S.
M. Colwell, and H. F. Schaefer III, eds, 2004, p. 145.
198. A. Aspuru-Guzik, R. Salomon-Ferrer, B. Austin, and W. A. Lester, Jr., “A Sparse
Algorithm for the Evaluation of the Local Energy in Quantum Monte Carlo,” J.
Comput. Chem. 26, 708 (2005).
199. A. Aspuru-Guzik, R. Salomon-Ferrer, B. Austin, R. Perusquia-Flores, M. A.
Griffin, R. A. Oliva, D. Skinner, D. Domin, and W. A. Lester, Jr., “Zori 1.0: A
Parallel Quantum Monte Carlo Electronic Package,” J. Comput. Chem. 26, 856
(2005).
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200. A. Aspuru-Guzik, A. C. Kollias, R. Salomon-Ferrer, and W. A. Lester, Jr.
“Quantum Monte Carlo: Theory and Applications to Atomic, Molecular and Nano
Systems,” in the Handbook of Theoretical and Computational Nanotechnology, eds.
M. Rieth and W. Schommers, American Scientific Publishers (2005).
201. A. C. Kollias, D. Domin, G. Hill, M. Frenklach, D. M. Golden, and W. A. Lester,
Jr., “Quantum Monte Carlo Study of Heats of Formation and Bond Dissociation
Energies of Small Hydrocarbons,” Int. J. Chem. Kinetics 37, 583 (2005).
202. W. A. Lester, Jr., FOREWORD to Beyond Small Numbers: Voices of African
American PhD Chemists by Willie Pearson, Jr., Volume 4 of the series, Diversity in
Higher Education, Elsevier, 2005, p. xvii.
203. A. Aspuru-Guzik and W. A. Lester, Jr., “Quantum Monte Carlo: Theory and
Application to Molecular Systems,” Adv. Quant. Chem. 49, 209 (2005).
204. R. Whitesides, A.C. Kollias, D. Domin, W.A. Lester, Jr., and M. Frenklach,
“Graphene Layer Growth: Collision of Migrating 5-Member Rings,” Fall Meeting
of the Western States Section of the Combustion Institute, Stanford, CA, October
17-18, 2005, paper 05F-62.
205. A. C. Kollias, D. Domin, G. Hill, M. Frenklach, and W. A. Lester, Jr., ““Quantum
Monte Carlo Study of Small Hydrocarbon Atomization Energies,” Mol. Phys. 104,
467 (2006). Article written in honor of Nicholas Handy.
206. R. Whitesides, A. C. Kollias, D. Domin, W. A. Lester, Jr., and M. Frenklach,
“Graphene Layer Growth: Collision of Migrating Five-Membered Rings,” Prepr.
Pap.-Am. Chem. Soc., Div. Fuel Chem. 51, 174 (2006).
207. W. A. Lester, Jr. and R. Salomon-Ferrer, “Some Developments in Quantum Monte
Carlo for Electronic Structure: Methods and Application to a Bio System,”
THEOCHEM 771, 51 (2006).
208. P. T. A. Galek, N. C. Handy, and W. A. Lester, Jr. “Quantum Monte Carlo Studies
on Small Molecules,” Mol. Phys. 104, 3069 (2006).
209. R. Whitesides, A. C. Kollias, D. Domin, W. A. Lester, Jr., and M. Frenklach,
“Graphene Layer Growth: Collision of Migrating Five-Member Rings, Proc.
Combust. Inst. 31, 539 (2007).
210. B. Austin, A. Aspuru-Guzik, R. Salomon-Ferrer, and W. A. Lester, Jr., “Linear –
Scaling Evaluation of the Local Energy in Quantum Monte Carlo,” in Proceedings
of the Pacifichem Symposium on Advances in Quantum Monte Carlo, J. B.
Anderson and S. M. Rothstein, eds., ACS Symposium Series 953, 55 (2007).
211. R. Prasad, N. Umezawa, D. Domin, R. Salomon-Ferrer, and W. A. Lester, Jr.,
“Quantum Monte Carlo Study of First-Row Atoms using Transcorrelated
Variational Monte Carlo Trial Functions,” J. Chem. Phys. 126, 164109 (2007).
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212. C. Amador-Bedolla, R. Salomon-Ferrer, J. A. Vazqez-Martinez, and W. A. Lester,
,Jr., “Reagents for Electrophilic Amination: A Quantum Monte Carlo Study,” J.
Chem. Phys. 126, 204308 (2007).
213. A. Aspuru-Guzik, B. Austin, D. Domin, P. T. A. Galek, N. Handy, R. Prasad, R.
Salomon-Ferrer, N. Umezawa, and W. A. Lester, Jr., “Recent Developments in
Quantum Monte Carlo: Methods and Applications,” in Computation in Modern
Science and Engineering, 2, Part A, T. E. Simos and G. Maroulis, eds., AIP
Conference Proceedings, 963 (2007), p. 210.
214. D. Domin, W. A. Lester, Jr., R. Whitesides, and M. Frenklach, “Isomer Energy
Differences for the C4H3 and C4H5 Isomers Using Diffusion Monte Carlo,” J. Phys.
Chem. A, 112, 2065 (2008).
215. M. T, Nguyen, M. H. Matus, W. A. Lester, Jr., and D. A. Dixon, “Heats of
Formation of Triplet Ethylene and Ethylidene,” J. Phys. Chem. A, 112, 2082
(2008).
216. R. Whitesides, D. Domin, R. Salomon-Ferrer, W.A. Lester, Jr., and M. Frenklach,
“Graphene Layer Growth Chemistry: Five-Six-Ring Flip Reaction,” J. Phys. Chem.
A, 112, 2125 (2008).
217. W. A. Lester, Jr. and D. Domin, “Some Recent Developments of Quantum Monte
Carlo to Molecular Systems,” in Nuclei and Mesoscopic Physics, P. Danielowicz,
P. Piecuch, and V. Zelevinsky, eds., AIP Conference Proceedings 995, (2008), p.
72.
218. D. Domin, B. Braida, and W. A. Lester, Jr., “The Breathing Orbital Valence Bond
Method in Diffusion Monte Carlo: C-H Bond Dissociation of Acetylene,” J. Phys.
Chem. A, 112, 8964 (2008).
219. R. Olivares-Amaya, R. Salomón-Ferrer, W. A. Lester Jr., and C. Amador-Bedolla,
"Creation of a GUI for Zori, a Quantum Monte Carlo program, using Rappture,"
Computing in Science and Engineering, January/February 2009, Vol. 11, No.1, p.
41.
220. W. A. Lester, Jr., L. Mitas, and B. Hammond, Chem. Phys. Letters (Frontier
Article) 478, 1 (2009).
221. W. A. Lester, Jr., “Quantum Monte Carlo for Electronic Structure” in Practical
Aspects of Computational Chemistry: Methods, Concepts and Applications, J.
Leszczynski and M. K. Shukla, Eds. Springer 2009, p. 315.
222. R. Whitesides, D. Domin, R. Salomon-Ferrer, W.A. Lester, Jr., and M. Frenklach,
“Embedded-Ring Migration on Graphene Zigzag Edge,” Proc. Int. Symp.
Combustion, 32, 577 (2009).
223. D. Yu Zubarev, N. Robertson, D. Domin, J. McClean, J. Wang, W. A Lester, Jr., R.
Whitesides, X. You, and M. Frenklach, “Local Electronic Structure and Stability of
Pentacene Oxyradicals,” J. Phys. Chem. C 114, 5429 (2010) (part of the “Barbara J.
Garrison Festschrift”).
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224. M. R. Philpott, S. Vukovic, Y. Kawazoe, and W. A. Lester, Jr., “Edge versus
Interior in the Chemical Bonding and Magnetism of Zigzag Edged Triangular
Graphene Molecules,” J. Chem. Phys., 133, 044708 (2010).
225. D. Yu Zubarev, N. Robertson, D. Domin, J. McClean, J. Wang, W. A Lester, Jr., R.
Whitesides, X. You, and M. Frenklach, “Polyaromatic Hydrocarbon Oxyradical
Stability,” J. At. Mol. Sci. 1, 48 (2010).
226. D. Yu Zubarev, D. Domin, W. A Lester, Jr., “Quantitative Characteristics of
Qualitative Localized Bonding Patterns,” J. Phys. Chem. A 114, 3074 (2010) (part
of the “Benoit Soep Festschrift”).
227. J. Wang, D. Domin, B. Austin, D. Yu Zubarev, J. McClean, M. Frenklach, T. Cui,
W. A. Lester, Jr., “A Diffusion Monte Carlo Study of the O-H Bond Dissociation of
Phenol,” J. Phys. Chem. A 114, 9832 (2010) (part of the “Reinhard Schinke
Festschrift”).
228. J. Wang, D. Yu Zubarev, M. R. Philpott, S. Vukovic, W. A Lester, Jr., T. Cui, Y.
Kawazoe, “Onset of Diradical Character in Small Nanosized Graphene Patches,”
Phys. Chem. Chem. Phys. 12, 9839 (2010).
229. L. Castiglioni, S. Vukovic, P. E. Crider, W. A. Lester, Jr., and D. M. Neumark,
Intramolecular Competition in the Photodissociation of C3D3 Radicals at 248 and
193 nm,” Phys. Chem. Chem. Phys. 12, 10714 (2010).
230. X. You, R. Whitesides, D. Zubarev, W. A. Lester, Jr., M. Frenklach, “Bay-Capping
Reactions: Kinetics and Influence on Graphene-Edge Growth,” Proc. Combust.
Inst. doi:10.1016/j.proci.2010.05.110 (in press).
Books and Edited Volumes
Proceedings of the Conference on Potential Energy Surfaces in Chemistry, ed. W. A.
Lester, Jr., 1971. Available as RA-18 from the Research Library, IBM Research
Laboratory, San Jose, California.
B. L. Hammond, W. A. Lester, Jr., and P. J. Reynolds, Monte Carlo Methods in Ab Initio
Quantum Chemistry, World Scientific (Singapore), 1994.
Recent Advances in Quantum Monte Carlo Methods, ed., W. A. Lester, Jr., World
Scientific Publishing (Singapore), 1997.
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Proceedings of the First International Workshop on Contemporary Problems in
Mathematical Physics, eds. J. Govaerts, M. N. Hounkonnou, and W. A. Lester, Jr., World
Scientific Publishing (Singapore), 2000.
Recent Advances in Quantum Monte Carlo – Part II, eds. S. Rothstein, W. A. Lester, Jr.,
and S. Tanaka, World Scientific Publishing (Singapore), 2002.
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William A. Lester, Jr.