Quantum Mechanics - Ritz variational principle

In summary, the conversation discusses using the Ritz variational principle to approximate an observable in a Chemical Physics class. The specific potential being studied is the one dimensional particle in a box with only the ground state being considered. The task is to make approximations of the wave function using polynomials and verify their accuracy compared to the exact solution. It is noted that a third order polynomial will perform better than a first order one. The problem arises when using only linear polynomials, as the second order derivatives in the Schrodinger equation yield a value of 0 for the energy. The professor suggests modifying the Schrodinger equation, possibly using the chain rule, for this case. The conversation ends with a question about finding values for A and B
  • #1
el_hijoeputa
19
0
I was asked to do an assigment for a Chemical Physics class on the Ritz variational principle (used to calculate an approximation of an observable). We are working a simple potential, the one dimensional particle in the box (v=0 for 0<x<L, V= infinite elsewhere) and only considering the ground state. I'm asked to make approximations of the wave function with polynomials, first a linear one, then a second order, and with a third order one. We need to do this to verify that the closest the shape of our approx. wave function is to the one obtained by solving that potential, which is:
Y(x) = (2/L)^1/2 Sin [(pi/L) x], the calculated Energy get closer to the "real" one. Therefore a third order polynomial will perform better than a first order polynomial.

Well, my problem arises when making an a proximation of the wave function with only linear polynomials, because the derivatives in the Schrodinger Eq. are of second order, yielding 0 to the value of energy. The professor said that this is incorrect, that a change has to be made to the Schrodinger Eq. (probably using chain rule) for this case.

Anyway, I chose as my trial wave function with only linear polynomials the following:

Y(x) = { Ax, for 0<x<L/2
Y(x) = { B(x-L), for L/2<x<L

I have no idea on the modification needed to the Schrodinger Eq. Can someone shed some light, or give me advise on how to solve this?
 
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  • #2
i also have met this problem
 
  • #3
el_hijoeputa said:
Y(x) = { Ax, for 0<x<L/2
Y(x) = { B(x-L), for L/2<x<L

For what A and B is this a continuous function? Is the first derivative continuous?
 

1. What is the Ritz variational principle in quantum mechanics?

The Ritz variational principle is a method used to approximate the ground state energy of a quantum mechanical system. It states that the ground state energy can be found by minimizing the expectation value of the Hamiltonian with respect to a trial wavefunction.

2. How is the Ritz variational principle different from other methods used to find the ground state energy?

The Ritz variational principle differs from other methods, such as the variational method and perturbation theory, in that it allows for the use of a more general trial wavefunction rather than a specific form. This makes it a more flexible and powerful tool in finding the ground state energy.

3. Can the Ritz variational principle be applied to all quantum mechanical systems?

Yes, the Ritz variational principle can be applied to all quantum mechanical systems, as long as the Hamiltonian is known and the trial wavefunction satisfies certain conditions, such as being normalized and having the correct boundary conditions.

4. What are the advantages of using the Ritz variational principle?

The Ritz variational principle has several advantages over other methods, including its flexibility in allowing for a more general trial wavefunction, its ability to yield more accurate results, and its ease of implementation in numerical calculations.

5. Are there any limitations to the Ritz variational principle?

One limitation of the Ritz variational principle is that it can only provide an upper bound on the ground state energy. Additionally, it may not be applicable to systems with complicated potentials or when the ground state energy is close to the excited state energies. In these cases, other methods may be more suitable.

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