CONTRACTED GAUSSIAN-BASIS SETS FOR SODIUM THROUGH TO ARGON

Segmented [6s4p] and [6s5p] contractions of Koga and Thakkar's reoptim ized (12s8p) and (12s9p) gaussian basis sets, respectively, are report ed for the atoms Na through to Ar. These basis sets yield lower atomic energies than the McLean-Chandler basis sets of the same size. The ba sis sets are tested by performing self-consistent field geometry optim izations on NaH, MgH2, Al2Cl6, SiH4, P2H4, H2S2, SO3, HCl and ClF3.