Contracted Gaussian-type basis functions revisited II. Atoms Na through Ar

Abstract.

We report five minimal-type contracted Gaussian-type function (CGTF) basis sets of the second-row atoms, Na – Ar, for molecular applications. Three of the present CGTF sets are revised versions of those given by Huzinaga and co-workers and the other two are newly developed for more accurate calculations. Practical utility and improved reliability of the present basis sets, augmented by polarization functions, are confirmed by test calculations on the P atom and P₂ molecule both at the self-consistent field (SCF) and configuration interaction (CI) levels.