TISE_Solver

A testing program to solve time independent Schrdoinger’s Equation using multiple basis sets.

• Free software: MIT license
• Documentation: https://tise-solver.readthedocs.io.

Features

Currently the program can be used to find the optimized wavefunctions and energies of each state for a particle under constant external potential.

Wavefunction is obtain by variational principle. By solving the generalized eigenvalue problem, HC = ESC, we can get the basis set coefficients, where H is hamiltonian matrix, S is overlap matrix, E are energies and C are the coefficients.

Hereby Fourier basis and Legendre basis are provided for you to use. Tune switch to 0 for Legendre basis, while everything else for Fourier basis.

Credits

This package was created with Cookiecutter and the audreyr/cookiecutter-pypackage project template.