Sigma basis sets: a new family of GTO basis sets for molecular calculations
Computational Physics
2022-07-07 v1
Abstract
A new family of Gaussian-type basis sets named sigma basis sets is presented and preliminarily tested. Sigma basis sets for H, C, N, O and P are reported and their performance is tested in some atomic and molecular calculations.
Keywords
Cite
@article{arxiv.2207.02782,
title = {Sigma basis sets: a new family of GTO basis sets for molecular calculations},
author = {Ignacio Ema and Guillermo Ramírez and Rafael López and José Manuel García de la Vega},
journal= {arXiv preprint arXiv:2207.02782},
year = {2022}
}
Comments
6 pages, 5 tables, no figures