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

Spectra of diatomic molecules

1950 • 5,975 citations

Roothaan-Hartree-Fock atomic wavefunctions

1974 • 5,462 citations

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

1973 • 1,358 citations

Relativistic effects on chemical properties

1979 • 572 citations

Relativistic Quantum Chemistry

1978 • 415 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

Single-Configuration Wavefunctions and Potential Curves for Low-Lying States of He2+, Ne2+, Ar2+, F2−, Cl2− and the Ground State of Cl2

1971 • 216 citations

Relativistic Z-dependent theory of many-electron atoms

1962 • 209 citations

A b i n i t i o effective core potentials including relativistic effects. II. Potential energy curves for Xe2, Xe+2, and Xe*2

1978 • 146 citations

Relativistic self-consistent-field (RSCF) theory for closed-shell molecules

1975 • 120 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

Diatomic molecules: Results of ab initio calculations

1977 • 116 citations

A b i n i t i o effective core potentials including relativistic effects. IV. Potential energy curves for the ground and several excited states of Au2

1979 • 75 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. III. Ground state Au2 calculations

1979 • 69 citations

Dirac—Fock one-centre calculations. The molecules BH, AlH, GaH, InH and TlH

1976 • 66 citations

Application of effective potentials to relativistic hartree—fock calculations

1978 • 52 citations

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

1976 • 50 citations

Relativistic molecular symmetry spinors for diatomics

1974 • 40 citations

Relativistic energy levels of Fe XXI

1979 • 22 citations

Relativistic electronics structure of PbS and PbSe molecules

1978 • 15 citations