Sigma basis sets: a new family of GTO basis sets for molecular calculations
I. Ema, Guillermo Ramírez, Rafael López, José Manuel García de la Vega · arXiv (Cornell University) · 2022
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.