2-dimensional "potential surface in a box" schrodinger equation solver. Includes a Mathematica program to visualise data (with time-dependent superposition function propagation included)
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Updated
Sep 28, 2024 - Fortran
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chemical-physics
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Sinc functional basis numerical Schrodinger equation solver for (potential in an infinite well) types of potential
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Updated
Sep 19, 2024 - Fortran
AUTOSURF is a powerful software designed to robustly compute electronic energies and incorporate them into a global potential energy surface (PES). The code completely automates all of the steps and procedures that go into fitting various classes of PESs, being well-suited for treating systems with highly-anisotropic interactions.
gaussian
molecular-dynamics-simulation
physical-chemistry
pes
chemical-physics
potential-energy-surfaces
van-der-waals-systems
molpro
autosurf-pes
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Updated
May 21, 2023 - Fortran
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