Abstract Minimal compact contracted Gaussian basis sets are constructed for the atoms from Na to Ca. They give satisfactory valence shell orbital energies, although they are min...
Abstract Compact contracted Gaussian basis sets introduced in the preceding article are tested for ab initio molecular calculations on molecules containing third‐row atoms (Na t...
Abstract Model potential parameters and valence orbitals were generated for the transition metal atoms Sc through Hg. They are named the spd ‐MPs and are supplementary to the sd...
Abstract Model potential parameters and valence orbitals were generated for the transition metal atoms Sc through Hg. Only the nd and ( n + 1) s valence electrons were treated e...
h-index: Number of publications with at least h citations each.