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

Quantum Mechanics of One- and Two-Electron Systems

1957 • 4,746 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

Approximate relativistic corrections to atomic radial wave functions*

1976 • 973 citations

Relativistic calculation of atomic structures

1970 • 819 citations

A multi-configuration Hartree-Fock program with improved stability

1972 • 542 citations

A b i n i t i o effective core potentials: Reduction of all-electron molecular structure calculations to calculations involving only valence electrons

1976 • 451 citations

Atomic Self-Consistent-Field Calculations Using Statistical Approximations for Exchange and Correlation

1967 • 261 citations

Relativistic self-consistent fields

1961 • 241 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

The relativistic self-consistent field

1935 • 174 citations

Relativistic atomic wave functions

1971 • 133 citations

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

1975 • 120 citations

Relativistic and non-relativistic Hartree-Fock one-centre expansion calculations for the series CH4 to PbH4 within the spherical approximation

1974 • 111 citations

SCF Relativistic Hartree–Fock Calculations on the Superheavy Elements 118–131

1970 • 104 citations

Relativistic effects in outer shells of heavy atoms

1975 • 101 citations

Self-consistent relativistic Dirac-Hartree-Fock calculations of lanthanide atoms

1973 • 94 citations

Relativistic and nonrelativistic effective core potentials for xenon. Applications to XeF, Xe2, and Xe2+

1978 • 60 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

The calculation of atomic wave functions

1968 • 30 citations

Iterative solution of the Hartree-Fock equations with improved stability

1972 • 18 citations