Numerical solution of Schrodinger equation

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SUMMARY

The discussion focuses on the numerical solution of the Schrödinger equation for a symmetric potential well using Mathematica. The user attempts to obtain eigenfunctions by randomly assigning energy values but encounters divergent wave functions. The consensus is that these divergent results indicate incorrect eigenfunctions, as normalizable solutions only exist for specific energy eigenvalues. The recommended approach for solving the time-independent Schrödinger equation is to utilize the Numerov method, which is essential for accurate results.

PREREQUISITES
  • Understanding of the Schrödinger equation and its applications in quantum mechanics.
  • Familiarity with eigenvalues and eigenfunctions in the context of quantum systems.
  • Proficiency in using Mathematica for numerical computations and plotting.
  • Knowledge of the Numerov method for solving differential equations.
NEXT STEPS
  • Research the Numerov method for numerical solutions of the Schrödinger equation.
  • Explore the implementation of eigenvalue problems in Mathematica.
  • Study the conditions for normalizability of wave functions in quantum mechanics.
  • Investigate alternative numerical methods for solving the Schrödinger equation, such as finite difference methods.
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Quantum physicists, computational scientists, and students studying quantum mechanics who are interested in numerical methods for solving the Schrödinger equation.

arroy_0205
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Suppose for some specific problem (symmetric potential well) the Schroedinger equation is expected to give certain discrete bound states and corresponding eigenfunctions. Now I am trying to obtain the eigenfunctions by numerically solving the equation and plotting the solutions by randomly assigning energy value. In general most of the times my guess of energy value will be wrong but the program (say Mathematica) will give some result (plot for the wave function). What will be interpretation for those results?

The answer may be those are simply wrong eigenfunctions so no interpretation is needed. However I was doing this stupid job and was getting divergent wave functions almost always. But I do not understand why Mathematica was giving divergent plot rather than some arbitrary finite plot. Do you have any clue?
 
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There is a solution (actually, two linearly independent solutions) of the time-indpendent Schrödinger equation in one dimension for every value of the energy. For bound states, these are only allowed if they are normalizable, and this only happens for certain precise values of the energy (and these are the energy eigenvalues).
 
arroy_0205 said:
Suppose for some specific problem (symmetric potential well) the Schroedinger equation is expected to give certain discrete bound states and corresponding eigenfunctions. Now I am trying to obtain the eigenfunctions by numerically solving the equation and plotting the solutions by randomly assigning energy value. In general most of the times my guess of energy value will be wrong but the program (say Mathematica) will give some result (plot for the wave function). What will be interpretation for those results?

The answer may be those are simply wrong eigenfunctions so no interpretation is needed. However I was doing this stupid job and was getting divergent wave functions almost always. But I do not understand why Mathematica was giving divergent plot rather than some arbitrary finite plot. Do you have any clue?

I don't really understand what you are trying to ask. Have you written a program to calculate the eigenvalues and eigenfunctions or are you using someone else's program? The normal technique for numerically solving the 1-D Schrödinger Equation is the Numerov method, is your algorithm based on that technique? If not, you might want to google 'Numerov method' and look at the theory behind the method and maybe even some sample code and check it against your algorithm.
 

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