Quantum Mechanics - Ritz variational principle

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SUMMARY

The discussion focuses on the Ritz variational principle applied to the one-dimensional particle in a box potential, specifically for approximating the ground state wave function using polynomials. The exact wave function derived from solving the potential is Y(x) = (2/L)^(1/2) Sin[(π/L)x]. The user encounters issues when approximating the wave function with linear polynomials, leading to zero energy due to the second-order derivatives in the Schrödinger equation. The professor suggests a modification to the Schrödinger equation, likely involving the chain rule, to resolve this issue.

PREREQUISITES
  • Understanding of the Ritz variational principle
  • Familiarity with the Schrödinger equation
  • Knowledge of polynomial functions and their derivatives
  • Basic concepts of quantum mechanics, particularly wave functions
NEXT STEPS
  • Research modifications to the Schrödinger equation for variational methods
  • Study the properties of wave functions and boundary conditions in quantum mechanics
  • Learn about higher-order polynomial approximations in quantum systems
  • Explore continuity and differentiability conditions for piecewise functions
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Students in Chemical Physics, quantum mechanics enthusiasts, and anyone working on variational methods in quantum systems will benefit from this discussion.

el_hijoeputa
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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 Schrödinger 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 Schrödinger 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 Schrödinger Eq. Can someone shed some light, or give me advise on how to solve this?
 
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i also have met this problem
 
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?
 
Time reversal invariant Hamiltonians must satisfy ##[H,\Theta]=0## where ##\Theta## is time reversal operator. However, in some texts (for example see Many-body Quantum Theory in Condensed Matter Physics an introduction, HENRIK BRUUS and KARSTEN FLENSBERG, Corrected version: 14 January 2016, section 7.1.4) the time reversal invariant condition is introduced as ##H=H^*##. How these two conditions are identical?

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