1 Textbook 1 Introduction to Quantum Mechanics by David J. Griffiths Part I Theory Chap.1 The Wave Function Chap.2 The Time-Independent Schrodinger Equation Chap.3 Formalism Chap.4 Quantum Mechanics in Three Dimensions Chap.5 Identical Particles Part II Applications Chap.6 Time-Independent Perturbation Theory Chap.7 The Variational Principle Chap.8 The WKB Approximation Chap.9 Time-Dependent Perturbaion Theory Chap.10 The Adiabatic Approximation Chap.11 Scattering 2 Bibliography in English D. J. Griffiths, Introduction to Quantum Mechanics. S. M. McMurry, Quantum mechanics. P. Roman, Advanced Quantum Theory-an outline of the fundamental ideas. J. J. Sakurai, Modern quantum mechanics. R. Shankar, Principles of quantum mechanics. R. P. Feynman, The Feynman Lectures on Physics, Vol. 3. Cohen-Tannoudji, Quantum Mechanics, Vol. 1, 2. L. I. Schiff, Quantum mechanics. L. D. Landau and E. M. Lifshitz, Quantum Mechanics. R. Robinett’s Quantum mechanics: classical results, modern systems and visualized examples. J. Townsend, A modern approach to quantum mechanics. D. Park, Introduction to quantum theory. P. A. M. Dirac, The Principles of Quantum Mechanics. L. E. Ballentine,Quantum Mechanics: A Modern Development. T. Haar, Problems in Quantum Mechanics. …… 3 in Chinese 周世勋:《量子力学教程》,高等教育出版社,1979. 曾谨言:《量子力学》,科学出版社,1984. 曾谨言,《量子力学》(I,II),《量子力学导论》,2003. 钱伯初,《量子力学基本原理和计算方法》,甘肃人民出版社,1984. 苏汝铿: 《量子力学》,复旦大学出版社,1997. 张永德:《量子力学》,科学出版社,2002. 关 洪:《量子力学基础》,高等教育出版社,1999. 曾谨言、钱伯初:《量子力学专题分析(上,下)》,1990,1999. 钱伯初、曾谨言:《量子力学习题精选与剖析》,科学出版社,1988. 哈兴林:《高等量子力学》,高等教育出版社,1999. 倪光炯、陈苏卿:《高等量子力学》,复旦大学出版社,2000. 刘连寿:《理论物理基础教程》,高等教育出版社,2003. 汪德新:《量子力学》,科学出版社,2008. …… 4 5 6 Outline 7 Imagine a particle of mass m, constrained to move along the x-axis, subject to some specified force F(x,t): 8 Classical Mechanics (or Newton’s mechanics): The position of the particle at any given time x(t) can be determined by Classical Mechanics. How does it do by CM or NM? Then, the velocity [ v(t) = dx(t)/dt ], the momentum [ p(t)=mv(t) ], the kinetic energy ( T=mv2/2 ), or any other dynamical variable of interest can be figured out ! 9 However, Quantum Mechanics approaches this same problem quite differently! Quantum Mechanics: In this case what we are looking for is the wave function, (x,t), of the particle, and we get it by solving the Schrödinger Equation: where i is the square root of 1, and ħ is Planck’s constant: 10 The Schrödinger Equation plays a role logically analogous to Newton’s second law: Given suitable initial conditions [ typically, (x,t = 0) ], the Schrödinger equation determines (x,t) for all future time, just as, in classical mechanics, Newton’s law determines x(t) for all future time. NOTE: The Schrödinger Equation, not derived but guessed at intuitively, would then be a postulate of new theory, and its validity would have to be checked by 11 experiment ! 12 Fundamental principles of Quantum Mechanics: Assumption 1: Wave function (r, t) describes the state of a particle ! Assumption 2: Schrödinger Equation 13 Now, Question is: What exactly is this “wave function” ? or what does it do for you once you are got it ? or how can such “wave function” be said to describe the state of a particle ? 14 The wave function (r,t) itself is complex, not any physical means, but |(r,t)|2=* ( where * is the complex conjugate of ) is real and nonnegative — as a probability, of course, must be. 15 The answer is provided by Born’s statistical interpretation of the wave function, which says that |(x,t)|2 gives the probability of finding the particle at point x, at time t — or more precisely : 16 For example: One would be quite likely to find that the particle in the vicinity of point A, and relatively unlikely to find it near point B. 17 The statistical interpretation introduces a kind of indeterminacy into quantum mechanics. Even if you know everything the theory has to tell you about the particle, you cannot predict with certainty the outcome of a simple experiment to measure its position. Quantum Mechanics has to offer is statistical information about the possible results ! 18 This indeterminacy has been profoundly disturbing to physicists and philosophers alike. Is it peculiarity of nature, a deficiency in the theory, a fault in the measuring apparatus, or what ? 19 “Measurement” of Microscopic Particle (or System) Suppose we do measure the position of the particle, and we find it to be at the point C. Question: Where was the particle just before we made the measurement ? 20 Answer 1. The realist position: The particle was at C. This certainly seems like a sensible response, and it is the one Einstein advocated. However, that if this is true then quantum mechanics is an incomplete theory, since the particle really was at C, and yet quantum mechanics was unable to tell us so. 21 Answer 2. The orthodox position: The particle was not really anywhere. It was the act of measurement that forced the particle to “take a stand” . This view is associated with Bohr and his followers --- Copenhagen interpretation. However, that if it is correct there is something very peculiar about the act of measurement — something that over half a century of debate has done precious little to illuminate. 22 Answer 3. The agnostic position: Refuse to answer. This is not quite as silly as it sounds --- after all, what sense can there be in making assertions about the status of a particle before a measurement, when the only way of knowing whether you were right is precisely to conduct a measurement, in which case what you get is no longer “before the measurement”? It is metaphysics to worry about something that cannot, by its nature, be tested. 23 For decades this was the “fall back” position of most physicists: They’d try to sell you answer 2, but if you were persistent they’d switch to 3 and terminate the conversation. Until fairly recently, all three position (realist, orthodox, and agnostic) had their partisans. 24 But in 1964 John Bell astonished the physics community by showing that it makes an observable difference if the particle had a precise (though unknown) position prior to the measurement. Bell’s discovery effectively eliminated agnosticism as a viable option , and made it an experimental question whether 1 or 2 is the correct choice. 25 For now, suffice it to say that the experiments have confirmed decisively the orthodox inter- pretation: A particle simply does not have a precise position prior to measurement, any more than the ripples on a pond do. It is the measurement process that insists on one particular number, and thereby in a sence creates the specific result, limited only by the statistical weighting imposed by the wave function. 26 What if we made a second measurement, immediately after the first? Would we get C again, or does the act of measurement cough up some completely new number each time? On this question everyone is in agreement: A repeated measurement (on the same particle) must return the same value. Indeed, it would be tough to prove that the particle was really found at C in the first instance if this could not be confirmed by immediate repetition of the measurement. 27 How does the orthodox interpretation account for the fact that the second measurement is bound to give the value C ? Evidently the first measurement radically alters the wave function, so that it is now sharply peaked about C (see Figure 1.3). 28 We say that the wave function collapses upon measurement, to a spike at the point C ( soon spreads out again, in accordance with the Schrödinger equation, so the second measurement must be made quickly). 29 A measurement on the given state wave function (x,t) before the measurement make a measurement 30 There are, then, two entirely distinct kinds of physical processes: (i) “ordinary” ones, in which the wave function evolves in a leisurely fashion under the Schrödinger equation. (ii) “measurements”, in which suddenly and discontinuously collapses. 31 Fundamental principles of Quantum Mechanics: One of the most fundamental principles of quantum mechanics is the principle of linear superposition of state or, for short, the superposition principle. Assumption 3: A quantum mechanical system, which can take on the discrete states n ( nN ), is also able to occupy the state and the probability density of taking on state n is then given by 32 Because of the statistical interpretation of wave function, probability plays a central role in quantum mechanics. So we digress now for a brief discussion of the theory of probability. It is mainly a question of introducing some notation and terminology. 33 (1) Discrete Variable Consider a room containing 14 people, whose ages are: 1 person aged 14, 1 person aged 15, 3 person aged 16, 2 person aged 22, 2 person aged 24, 5 person aged 25. If we let N(j) represent the number of people of age j, then 34 The total number of people in the room is In this instance, N=14, and a histogram of the data is showed by Figure 1.4. 35 Question 1. If you selected one individual at random from this group, what is the probability that this persion’s age would be 15 ? Answer: the probability that the persion’s age would be 15 is P(15)=1/14 in above example. In general, if let P(j) be the probability of value j, then, the definition of probability is In particular, the sum of all the probability is 1, the normalization conditaion: 36 Question 2. What is the most probability age ? Answer: age 25. In general, the most probability j is the j for which P( j ) is a maximum. Question 3: What is the median age ? Answer: age 23. In general, the median is the value of j such that the probability of getting a larger result is the same as the probability of getting a smaller result. 37 Question 4: What is the average (or mean, or expection) age ? Answer: [14×1+15×1+16×3+22×2+24×2 +25×5]/14=294/14=21. In general, the average (or mean, or expection) value of j is given by Question 5: What is the average of square of the ages ? Answer: One could get 142 =196 with probability 1/14, 152 =225 with probability 1/14, 162 =256 with 38 probability 3/14, and so on. Then, the average of square of the ages can be calculated by In general, the average value of any fuction f(j) of j is given by for example, f (j) = jn, then where n is called the n-th moment of j. 39 Question 6: What is the deviation of age j from the average ? Answer: One could calculated each indicidual deviates from the average by using of following formula In general, the deviation means the amount of “spread” in a distribution with respect to the average. Note that the average of j is zero: 40 Therefore, one should define the average of square j by: This quantity 2 is known as the variance of the distribution. itself is called the standard deviation, which is the customary measure of the spread about j . 41 (2) Continuous Variable In general, a “random number” or “stochastic variable” is an object X defined by (a) a set of possible values (called “range”, “set of states”, “sample space”, or “phase space”); (b) a probability distribution over this set. The probability distribution (or probability density), in the case of a continuous one-dimensional range, is given by a function (x) that is nonnegative 42 And normalized in the sense The probability that X has a value between x and x+dx is (x)dx, i.e. The probability that x lies between a and b (a finite interval) is given by the integral of (x): 43 and the rules we deduced for discrete distributions translate in the obvious way: 44 Homework: Problem 1.1, Problem 1.3. 45 We return now to the statistical interpretation of the wave function (Eq.[l.3]), which says that |(x,t)|2 is the probability density for finding the particle at point x, at time t. It follows (Eq.[1.16]) that the integral of ||2 must be l (the particle’s got to be somewhere): Without this, the statistical interpretation would be nonsense. 46 The wave function is supposed to be determined by the Schrödinger equation — We can’t impose an extraneous condition on without checking that the two are consistent. Schrödinger equation [1.1] reveals that if (x,t) is a solution, so too is A(x,t), where A is any (complex) constant. What we must do, then, is pick this undetermined multiplicative factor so as to ensure that Eq.[1.20] is satisfied. This process is called normalizing the wave function. 47 For some solutions to the Schrödinger equation, the integral is infinite; in that case no multiplicative factor is going to make it 1. The same goes for the trivial solution = 0. Such non-normalizable solutions cannot represent particles, and must be rejected. Conclusion : Physically realizable states correspond to the “square-integrable”, solutions to Schrödinger’s equation ! 48 Above normalization only fixes the modulus of A; the phase remains undetermined. However, as we shall see, the latter (phase) carries no physical significance anyway. Suppose we have normalized the wave function at time t = 0. Question: How do we know that it will stay normalized, as time goes on and evolves ? You can’t keep renormalizing the wave function, for then A becomes a function of t , and you no longer have a solution to the Schrödinger equation. 49 Fortunately, the Schrödinger equation has the property that: It automatically preserves the normalization of the wave function . Without this crucial feature the Schrödinger equation would be incompatible with the statistical interpretation, and the whole theory would crumble ! 50 So we’d better pause for a careful proof of this point: Note that the integral is a function only of t, so we use a total derivative (d/dt) in the first term, but the integrand is a function of x as well as t, so it’s a partial derivative (/t) in the second one. By the product rule, 51 Now the Schrödinger equation says that and hence also (taking the complex conjugate of Eq. [1.23]) so 52 The integral (Eq.[1.21]) can now be evaluated explicitly: But (x,t) must go to zero as x goes to , otherwise the wave function would not be normalizable. It follows that and hence that the integral on the left is constant (independent of time); if is normalized at t = 0, its stays normalized for all future time. QED 53 Homework: Problem 1.4, Problem 1.5. 54 For a particle in state ,the expectation value of x is What exactly does this mean ? It emphatically does not mean that if you measure the position of one particle over and over again, x||2dx is the average of the results you’ll get. 55 However, the first measurement will collapse the wave function to a spike at the value actually obtained, and the subsequent measurements (if they’re performed quickly) will simply repeat that same result. Rather, x is the average of measurements performed on particles all in the state . 56 Which means that either you must find some way of returning the particle to its original state after each measurement , or else you prepare a whole ensemble of particles, each in the same state ,and measure the positions of all of them: x is the average of these results. In short, the expectation value is the average of repeated measurements on an ensemble of identically prepared systems, not the average of repeated measurements on one and the same system. 57 As time goes on, x will change (because of the time dependence of ), we might be interested in knowing how fast x moves. Referring to Eqs.[1.25] and [l.28], and x is independent of t, we see that This expression can be simplified using integration by parts: 58 Performing another integration by parts on the second term of Eq.[1.30], we conclude that 59 What are we to make of this result ? 60 Note that we’re talking about the “velocity” of the expectation value of x, which is not the same thing as the velocity of the particle. Nothing we have seen so far would enable us to calculate the velocity of a particle — it’s not even clear what velocity means in quantum mechanics. 61 If the particle doesn’t have a determinate position (prior to measurement), neither does it have a well defined velocity. All we could reasonably ask for is the probability of getting a particular value. We’ll see in Chapter 3 how to construct the probability density for velocity, given . 62 For our present purposes it will suffice to postulate that the expectation value of the velocity is equal to the time derivative of the expectation value of position: Eq.[1.31] tells us, then, how to calculate v directly from . 63 Actually, it is customary to work with momentum ( p=mv ), rather than velocity: Let we write the expressions for x and p in a more suggestive way: 64 We say that : in quantum mechanics, the operator x “represents” position, and the operator (ħ/i)(/x) “represents”, momentum. To calculate expectation values, we “sandwich” the appropriate operator between * and ,and integrate. From above discussion, it can be found that the position and momentum are represented by an operator, respectively. 65 Assumption 4: In quantum mechanics, all physical quantities are represented by a linear and hermitian operator ! 66 What about other dynamical variables ? The fact is, all such quantities can be written in terms of position and momentum. 67 To calculate the expectation value of such a quantity we simply replace every px by operator (ħ/i)(/x), insert the resulting operator between * and ,and integrate: Note: there is no ∧ on the symbol of dynamical variables when it represents a operator in this textbook ! For example, Eq.[1.36] is a recipe for computing the expectation value of any dynamical quantity for a particle in state ;it subsumes Eqs.[1.34] and [1.35] as special cases. 68 NOTE: Although all physical quantities are represented by a linear and hermitian operator in quantum mechanics. An operator itself has no any physical means. Its mean is only reflected in the action on wave function ! e. g. : Fu = v. It is important to realize that the product of two operators in general does not commute, i. e. AB≠BA. 69 We have tried in this section to make Eq.[1.36] seem plausible, given Born’s statistical interpretation. but the truth is that the equation [1.36] represents such a radically new way of doing business (as compared with classical mechanics) that it’s a good idea to get some practice using it before we come back (in Chapter 3) and put it on a firmer theoretical foundation. In the meantime, if you prefer to think of it as an axiom, that’s fine ! 70 Homework: Problem 1.6, Problem 1.7. 71 Imagine that you’re holding one end of a very long rope, and you generate a wave by shaking it up and down rhythmically (Figure 1.6). 72 If someone asked you, “Precisely where is that wave?” You’d probably think he was a little bit nutty: The wave isn’t precisely anywhere —it’s spread out over 50 feet or so. If he asked you what its wavelength is ? you could give him a reasonable answer: It looks like about 6 feet. 73 By contrast, if you gave the rope a sudden jerk (Figure 1.7), you’d get a relatively narrow bump traveling down the line. 74 In this case, the first question (Where precisely is the wave? ) is a sensible one, the second (What is its wavelength? ) seems nutty—it isn’t even vaguely periodic. how can you assign a wavelength to it? Of course, you can draw intermediate cases, in which the wave is fairly well localized and the wavelength is fairly well defined, but there is an inescapable trade-off here: The more precise a wave’s position is, the less precise is its wavelength, and vice versa . 75 A theorem in Fourier analysis makes all this rigorous in Chapt. 3, but for the moment we are only concerned with the qualitative argument. This applies to any wave phenomenon, and hence in particular to the quantum mechanical wave function. Now the wavelength of is related to the momentum of the particle by the De Broglie formula: Thus, a spread in wavelength corresponds to a spread in momentum. 76 In fact, similarly, a spread in frequency corresponds to a spread in energy. E h which is another of the De Broglie formulae. 77 In general, the more precisely determined a particle’s position is, the less precisely its momentum is determined, quantitatively, where x is the standard deviation in x, and p is the standard deviation in p. This is Heisenberg’s famous uncertainty principle. We’ll prove it in Chapter 3, we mention it here so you can test it out on the examples in Chapter 2. 78 How to understand the uncertainty principle means ? Like position measurements, momentum measurements yield precise answers — the “spread” here refers to the fact that momentum measurements on identical systems do not yield consistent results. 79 You can prepare a system such that repeated position measurements will be very close together (by making a localized “spike”), but you will pay a price: Momentum measurements on this state will be widely scattered. Or you can prepare a system with a reproducible momentum (by making a long sinusoidal wave), but in that case position measurements will be widely scattered. 80 And, of course, if you’re in a really bad mood (心情) you can prepare a system in which neither position nor momentum is well defined: Eq.[1.40] is an inequality, and there’s no limit on how big x and p can be — just make some long wiggly line with lots of bumps and potholes and no periodic structure. 81 Homework: Problem 1.9, Problem 1.14, Problem 1.16, Problem 1.17. 82 Summary : 83 84