Hartree-Fock Program in Python - Part 1
Автор: Nickel and Copper
Загружено: 2020-07-19
Просмотров: 16134
Описание:
in this video, we start building our Hartree-Fock program in python by coding the functions needed to compute the overlap of our basis sets comprised of primitive Gaussian basis functions.
This code is not intended to be an example of good programming - it is a naive approach for writing a Hartree Fock program in Python
https://github.com/nickelandcopper/Ha...
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