Quantum Two 1

2

Time Independent Approximation Methods 3

As we have seen, the task of predicting the evolution of an isolated quantum mechanical system can be reduced to the solution of an appropriate eigenvalue equation involving the Hamiltonian of the system. Unfortunately, only a small number of quantum mechanical systems are amenable to an exact solution. Moreover, even when an exact solution to the eigenvalue problem is available, it is often useful to understand the behavior of the system in the presence of weak external fields that my be imposed in order to probe the structure of its stationary states. In these situations approximate methods are required for calculating the eigenstates of the Hamiltonian in the presence of a perturbation that makes it difficult or impossible to obtain an exact solution. 4

As we have seen, the task of predicting the evolution of an isolated quantum mechanical system can be reduced to the solution of an appropriate eigenvalue equation involving the Hamiltonian of the system. Unfortunately, only a small number of quantum mechanical systems are amenable to an exact solution. Moreover, even when an exact solution to the eigenvalue problem is available, it is often useful to understand the behavior of the system in the presence of weak external fields that my be imposed in order to probe the structure of its stationary states. In these situations approximate methods are required for calculating the eigenstates of the Hamiltonian in the presence of a perturbation that makes it difficult or impossible to obtain an exact solution. 5

As we have seen, the task of predicting the evolution of an isolated quantum mechanical system can be reduced to the solution of an appropriate eigenvalue equation involving the Hamiltonian of the system. Unfortunately, only a small number of quantum mechanical systems are amenable to an exact solution. Moreover, even when an exact solution to the eigenvalue problem is available, it is often useful to understand the behavior of the system in the presence of weak external fields that my be imposed in order to probe the structure of its stationary states. In these situations approximate methods are required for calculating the eigenstates of the Hamiltonian in the presence of a perturbation that makes it difficult or impossible to obtain an exact solution. 6

As we have seen, the task of predicting the evolution of an isolated quantum mechanical system can be reduced to the solution of an appropriate eigenvalue equation involving the Hamiltonian of the system. Unfortunately, only a small number of quantum mechanical systems are amenable to an exact solution. Moreover, even when an exact solution to the eigenvalue problem is available, it is often useful to understand the behavior of the system in the presence of weak external fields that my be imposed in order to probe the structure of its stationary states. In these situations approximate methods are required for calculating the eigenstates of the Hamiltonian in the presence of a perturbation that makes it difficult or impossible to obtain an exact solution. 7

There are two general approaches commonly taken in problems of this sort. The first, referred to as the variational method, is most commonly used to obtain information about the ground state, and low lying excited states of the system. The second, more systematic approach is generally referred to as time- independent perturbation theory, of which there are two versions: non-degenerate perturbation theory and degenerate perturbation theory. Either of these approaches is generally applicable to any set of discrete levels and is not necessarily restricted to the solution of the energy eigenvalue problem, but can be applied to any observable with a discrete spectrum. We begin with a study of the variational method, which is based upon two variation theorems, one fairly weak, and the other of which makes a stronger and more useful statement. 8

There are two general approaches commonly taken in problems of this sort. The first, referred to as the variational method, is most commonly used to obtain information about the ground state, and low lying excited states of the system. The second, more systematic approach is generally referred to as time- independent perturbation theory, of which there are two versions: non-degenerate perturbation theory and degenerate perturbation theory. Either of these approaches is generally applicable to any set of discrete levels and is not necessarily restricted to the solution of the energy eigenvalue problem, but can be applied to any observable with a discrete spectrum. We begin with a study of the variational method, which is based upon two variation theorems, one fairly weak, and the other of which makes a stronger and more useful statement. 9

There are two general approaches commonly taken in problems of this sort. The first, referred to as the variational method, is most commonly used to obtain information about the ground state, and low lying excited states of the system. The second, more systematic approach is generally referred to as time- independent perturbation theory, of which there are two versions: non-degenerate perturbation theory and degenerate perturbation theory. Either of these approaches is generally applicable to any set of discrete levels and is not necessarily restricted to the solution of the energy eigenvalue problem, but can be applied to any observable with a discrete spectrum. We begin with a study of the variational method, which is based upon two variation theorems, one fairly weak, and the other of which makes a stronger and more useful statement. 10

There are two general approaches commonly taken in problems of this sort. The first, referred to as the variational method, is most commonly used to obtain information about the ground state, and low lying excited states of the system. The second, more systematic approach is generally referred to as time- independent perturbation theory, of which there are two versions: non-degenerate perturbation theory and degenerate perturbation theory. Either of these approaches is generally applicable to any set of discrete levels and is not necessarily restricted to the solution of the energy eigenvalue problem, but can be applied to any observable with a discrete spectrum. We begin with a study of the variational method, which is based upon two variation theorems, one fairly weak, and the other of which makes a stronger and more useful statement. 11

There are two general approaches commonly taken in problems of this sort. The first, referred to as the variational method, is most commonly used to obtain information about the ground state, and low lying excited states of the system. The second, more systematic approach is generally referred to as time- independent perturbation theory, of which there are two versions: non-degenerate perturbation theory and degenerate perturbation theory. Either of these approaches is generally applicable to any set of discrete levels and is not necessarily restricted to the solution of the energy eigenvalue problem, but can be applied to any observable with a discrete spectrum. We begin with a study of the variational method, which is based upon two variational theorems, one fairly weak, and the other of which makes a stronger and more useful statement. 12

We note in passing that is because of this simple variational theorem that one knows that the actual ground state energy of a many-particle system is generally lower than that of the Hartree-Fock ground state, which approximates the actual ground state in terms of a single direct product state. Although this simple form of the variational theorem is already useful, it is possible to prove an even stronger variational statement that includes the simple bounds given above as a special case. A statement and proof of this stronger form of the variational theorem is given in the next segment. 13

The (Weak) Variational Theorem 14

15

16

17

18

19

20

21

22

23

24

25

26

27

which we can use to express the mean value of interest in the form We then note that each term in the last sum is itself bounded, i.e., So, using the fact that we find that 28

which we can use to express the mean value of interest in the form We then note that each term in the last sum is itself bounded, i.e., So, using the fact that we find that 29

which we can use to express the mean value of interest in the form We then note that each term in the last sum is itself bounded, i.e., So, using the fact that we find that 30

which we can use to express the mean value of interest in the form We then note that each term in the last sum is itself bounded, i.e., So, using the fact that we find that 31

which we can use to express the mean value of interest in the form We then note that each term in the last sum is itself bounded, i.e., So, using the fact that we find that 32

which we can use to express the mean value of interest in the form We then note that each term in the last sum is itself bounded, i.e., So, using the fact that we find that 33

which we can use to express the mean value of interest in the form We then note that each term in the last sum is itself bounded, i.e., So, using the fact that we find that 34

which we can use to express the mean value of interest in the form We then note that each term in the last sum is itself bounded, i.e., So, using the fact that we find that Thus, 35

36

37

38

39

40

We note in passing that it is because of this simple variational theorem that one knows that the actual ground state energy of a many-particle system is generally lower than that of the Hartree-Fock ground state, which approximates the actual ground state in terms of a single direct product state. Although this simple form of the variational theorem is already useful, it is possible to prove an even stronger variational statement that includes the simple bounds given above as a special case. 41

We note in passing that is because of this simple variational theorem that one knows that the actual ground state energy of a many-particle system is generally lower than that of the Hartree-Fock ground state, which approximates the actual ground state in terms of a single direct product state. Although this simple form of the variational theorem is already useful, it is possible to prove an even stronger variational statement that includes the simple bounds given above as a special case. A statement and proof of this stronger form of the variational theorem is given in the next segment. 42

We note in passing that is because of this simple variational theorem that one knows that the actual ground state energy of a many-particle system is generally lower than that of the Hartree-Fock ground state, which approximates the actual ground state in terms of a single direct product state. Although this simple form of the variational theorem is already useful, it is possible to prove an even stronger variational statement that includes the simple bounds given above as a special case. A statement and proof of this stronger form of the variational theorem is given in the next segment. 43

44