‫בס"ד‬
‫כימיה קוונטית‬
‫הרקע הניסיוני‬
‫אמפליטודת הסתברות‬
‫משוואת שרדינגר‬
‫אופרטורים‬
‫מדידות‬
‫חלקיק נע בפוטנציאל חד ממדי‬
‫מצבים עצמיים של אנרגיה‬
‫הפוסטולטים של מכניקת הקוונטים‬
‫מצבים קשורים בפוטנציאל מרכזי‬
‫אלגברת התנע הזוויתי‬
‫אטומים‬
‫שיטות קירוב לפתרון משוואת שרדינגר‪ :‬תורת ההפרעות‪ ,‬ושיטת הווריאציה‬
‫חלקיקים זהים – טרמים‪.‬‬
‫הספין של האלקטרון‪.‬‬
‫אטום רב אלקטרונים ‪ -‬המערכה המחזורית‬
‫מקורות‪:‬‬
‫‪ .1‬מכניקה קוונטית מזוית ראיה של הכימיה‪ ,‬מאת נמרוד מויסייב ‪" ,‬מכלול" – ההוצאה לאור ‪,‬‬
‫הטכניון‪ ,‬חיפה‪.‬‬
‫‪Quantum Chemistry, by Ira N. Levine,Prentice-Hall International, Inc. .2‬‬
‫‪Molecular Quantum Mechanics, by Peter Atkins and Ronald Friedman, .3‬‬
‫‪Oxford University Press.‬‬
1. Course
1-0167317-1 Quantum Chemistry – ‫כימיה קוונטית‬
Department of Biological Chemistry ,first semester 3rd year, 2 annual hours+1
annual hour tutor.
2. Schedule
Tuesday 9:00-12:00 at room 52.2.13, Thursday 9:00-10:00 at room 8.2.03
Tutorial: 10:00 – 12:00 at room 8.2.03
3. Lecturer
Haya Kornweitz, room 6.03, 03-9066347, hayak@ariel.ac.il,
Office hours: Monday 11:00 - 11:30, Tuesday: 13:00 – 14:00.
4. Course goal
The students become familiar with the language of quantum chemistry and
with the use of its most important tools. This knowledge is integrated with the
understating of the theoretical concepts of quantum chemistry.
5. Prerequisites
A course of Advanced Mathematics for chemist.
6. Method of instruction
frontal lectures + tutor sessions
7. Course plan
1. Historical Background of Quantum Mechanics:
Experiments which led to the development of the quantum theory, e.g. black –
body radiation, photoelectric and Compton effects, atomic spectra, the duality
of matter.
2. The foundation of quantum mechanics:
Mathematical and physical background, classical mechanics, operators and
commutators.
3. The particle in a box:
A particle in one, two and three dimensions, free particle, particle in a
rectangular well, a rectangular barrier, tunneling.
4. The postulates of quantum mechanics:
Wave function, probability, expectation
value, hermitian operators,
eigenfunctions and eigenvalues, measurement and superposition of states, the
uncertainty principle.
5. Schrodinger Equation:
The time dependent Schrodinger Equation, stationary staes, the time
independent Schrodinger Equation.
6. The harmonic oscillator, the hermite polynomials. The lowering and raising
operators.
7. Angular momentum, the ladder-operator for angular momentum.
8. The Hydrogen atom:
a particle in a central potential, separation of variable, internal, coordinates,
the two-particle rigid rotor, the hydrogen atom, energy levels, Hydrogen-like
orbitals.
9. Solution methods in quantum-mechanics:
Perturbation theory. The variational method.
10. Electron spin and Pauli principle:
Spin and the hydrogen atom, the perturbation operator and the spin, bosons
and fermions, the Hellium atom, the
Pauli exclusion principle, Slater
determinants, Lithium atom.
11. Many electrons atoms:
Identical particles, addition of angular momentum, terms.
12. Introduction to atomic and molecular spectroscopy.
8. Course requirements:
Attendance, about 10 exercises, final exam.
9. Date of the examination
21/1/2010 first date
11/2/2010 first date
10. Course grading
Final exam -100%
11. Main textbook and additional text books
Molecular Quantum mechanics, by Peter Atkins and Ronald Friedman
Quantum Chemistry, by Ira N. Levine
Introduction to Quantum Mechanics in Chemistry, by Mark A. Ratner and
George C. Schatz
Quantum Mechanics: A Chemistry Perspective, by Nimrod Moiseyev.