Maple Hartree Fock Quantum Chemistry Program

convergedHeHOrbitals

Basis functions corresponding to the lowest energy converged eigenvalue of the HeH+ Fock matrix

Here’s a little project that I’ve been meaning to finish for awhile now, to aid my own learning and anybody else who is interested: it’s a Maple script for a restricted closed-shell Hartree Fock program, which you can download here as a *.zip file. I wrote it using Maple 16, so it should work in v16 or later.
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