量子力学学习课件第七章英文版.pptxVIP

CHAPTER 7 The variational principle7.1 Theory 2937.2 The ground state of helium 2997.3 The hydrogen molecule ion 3047.4 The Basis expansion method7.5 Excited statesChapter 7 The Variational Principle Suppose you want to calculate the ground-state energy for a system described by the Hamiltonian , but you are unable to solve the (time-independent) Schrodinger equation What should you do? 7.1 Theory Theorem: That is, the expectation value of in the (presumably in correct) state is certain to overestimate the ground-state energy. Of course, if just happens to be one of the excited states, then obviously exceeds .is any normalized function Proof Since the (unknown) eigenfunctions of form a complete set ,we can express as a linear combination of them: And is normalized, Since ,we get Meanwhile,Which is what we were trying to prove. To find the ground-state energy Aim ProcessesStep 1. Select a trial wave functionStep 2. Calculate in this stateStep 3. Minimize the Step 4. Take as the appropriate ground-state energy Examples Example 1. To find the ground-state energy for the one-dimensional harmonic oscillator:Of course, we already know the exact answer (see chapter 2):Pick a Gaussian function as our trial state where is a constant and is determined by normalization: The mean value of is We can get the tightest bound through minimizing withrespect to : Putting this back into ,we find Example 2. To look for the ground state energy of the delta-function potential:The mean value of is We also Pick a Gaussian function as our trial state: Again ,we already know the exact answer (see chapter 2): which is indeed somewhat higher than,since SoMinimizing it, Example 3. Figure 7.1: “triangular” trial wave function for the infinite sq