Fundamentals of Molecular Integrals Evaluation
Quantum Physics
2020-07-24 v1 Chemical Physics
Abstract
Evaluation of basic integrals over Gaussian functions, traditionally utilized for electronic structure computations on molecules and solids, is discussed in a pedagogical form.
Keywords
Cite
@article{arxiv.2007.12057,
title = {Fundamentals of Molecular Integrals Evaluation},
author = {Justin T. Fermann and Edward F. Valeev},
journal= {arXiv preprint arXiv:2007.12057},
year = {2020}
}