AB initio effective spin—orbit operators for use in atomic and molecular structure calculations. Results for carbon and silicon

A multiconfiguration relativistic DIRAC-FOCK program

1975 • 1,512 citations

Relativistic calculation of atomic structures

1970 • 819 citations

Improved a b i n i t i o effective core potentials for molecular calculations

1979 • 726 citations

Theory of spin-orbit coupling in atoms, II. Comparison of theory with experiment

1963 • 249 citations

A b i n i t i o effective core potentials including relativistic effects. I. Formalism and applications to the Xe and Au atoms

1977 • 239 citations

AB initio effective core potentials including relativistic effects. A procedure for the inclusion of spin-orbit coupling in molecular wavefunctions

1981 • 148 citations

Relativistic effects in a b i n i t i o effective core potentials for molecular calculations. Applications to the uranium atom

1978 • 120 citations

Relativistic effects in a b i n i t i o effective core potential studies of heavy metal compounds. Application to HgCl2, AuCl, and PtH

1979 • 72 citations

A b i n i t i o effective core potentials including relativistic effects. V. SCF calculations with ω–ω coupling including results for Au2+, TlH, PbS, and PbSe

1980 • 69 citations

Electronic structure for the ground state of TlH from relativistic multiconfiguration SCF calculations

1980 • 49 citations

Relativistic pseudopotential theories and corrections to the Hartree-Fock method

1980 • 41 citations

Direct measurement of fine structure in the ground state of atomic carbon by laser magnetic resonance

1980 • 35 citations

Relativistic modifications of covalent bonding in heavy elements

1981 • 23 citations