Self-consistent molecular orbital methods. XXIII. A polarization-type basis set for second-row elements

The 6-31G* and 6-31G** basis sets previously introduced for first-row atoms have been extended through the second-row of the periodic table. Equilibrium geometries for one-heavy-atom hydrides calculated for the two-basis sets and using Hartree–Fock wave functions are in good agreement both with each... View More