A modified pseudopotential approach to the heavy-atomic molecular systems: Application to the X 2Σ1/2+, A 2Π1/2, and the A 2Π3/2 states of the HgH molecule

Molecular Spectra and Molecular Structure

1979 • 15,902 citations

A multiconfiguration relativistic DIRAC-FOCK program

1975 • 1,512 citations

Relativistic Dirac-Fock expectation values for atoms with Z = 1 to Z = 120

1973 • 1,358 citations

New Method for Calculating Wave Functions in Crystals and Molecules

1959 • 1,207 citations

Relativistic Self-Consistent-Field Theory for Closed-Shell Atoms

1967 • 343 citations

Fe and Ni AB initio effective potentials for use in molecular calculations

1974 • 149 citations

Relativistic effects in outer shells of heavy atoms

1975 • 101 citations

PES of high-temperature vapors. IV. The cesium halides. Effect of spin-orbit interaction on the photoelectron and mass spectra of the alkali halides

1973 • 49 citations

Spin-orbit coupling constants from semi-empirical wavefunctions

1972 • 15 citations

Use of nonrelativistic wavefunctions for the prediction of properties of molecules containing atoms of high Z. PbO as a test case

1973 • 15 citations