H. Tatewaki et al., CONTRACTED GAUSSIAN-TYPE BASIS FUNCTIONS REVISITED .2. ATOMS NA THROUGH AR, Theoretical chemistry accounts, 96(4), 1997, pp. 243-247
We report five minimal-type contracted Gaussian-type function (CGTF) b
asis sets of the second-row atoms, Na - Ar, for molecular applications
. Three of the present CGTF sets are revised versions of those given b
y Huzinaga and co-workers and the other two are newly developed for mo
re accurate calculations. Practical utility and improved reliability o
f the present basis sets, augmented by polarization functions, are con
firmed by test calculations on the P atom and P-2 molecule both at the
self-consistent field (SCF) and configuration interaction (CI) levels
.