Finite difference Hamiltonian

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SUMMARY

The discussion focuses on solving a 1D Hamiltonian using finite difference methods, specifically the equation H = ħ²/2m d²/dx² + V(x) on the interval [0,L]. The standard approach involves discretizing the interval into N pieces and applying finite difference formulas for the potential V and the second derivative. A key point raised is the challenge of enforcing non-zero boundary conditions at the edges of the interval, which may require advanced methods beyond standard finite difference techniques. The participants emphasize that including regions outside [0,L] in the discretization can help manage boundary conditions effectively.

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Suppose I am given some 1D Hamiltonian:

H = ħ2/2m d2/dx2 + V(x) (1)

Which I want to solve on the interval [0,L]. I think most of you are familiar with the standard approach of discretizing the interval [0,L] in N pieces and using the finite difference formulas for V and the second derivative in (1), which can then be formulated as a matrix equation, which may be diagonalized for the eigenvector and eigenvalues.
Now for all this to work one has to assume that the wave-function goes to zero outside the interval [0,L], which follows if one makes the effort of writing up the finite difference expressions. My question is: Is there a way to enforce another boundary condition with this method? I am solving a problem, where it would be beneficial to enforce the wave function to take a non-zero value on the boundaries of the interval [0,L]. Is this possible with the standard finite difference method or should I look at more advanced methods?
 
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you just have to include the areas outside of the [0,L] in the discretization, the wave function will fall off to 0 depending on the structure of the potential.
 

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