Relativistic effects on bonding

A Simplification of the Hartree-Fock Method

1951 • 4,355 citations

The quantum theory of the electron

1928 • 3,327 citations

Self-consistent molecular Hartree—Fock—Slater calculations I. The computational procedure

1973 • 3,081 citations

On the calculation of bonding energies by the Hartree Fock Slater method

1977 • 2,243 citations

On the Dirac Theory of Spin 1/2 Particles and Its Non-Relativistic Limit

1950 • 2,052 citations

Zahlenwerte und Funktionen

1965 • 1,145 citations

Relativity and the periodic system of elements

1979 • 1,051 citations

On the calculation of multiplet energies by the hartree-fock-slater method

1977 • 961 citations

Relativistic effects on chemical properties

1979 • 572 citations

Relativistic Quantum Chemistry

1978 • 415 citations

A perturbation theory approach to relativistic calculations

1979 • 331 citations

Relativistic molecular calculations in the Dirac–Slater model

1975 • 271 citations

A perturbation theory approach to relativistic calculations

1978 • 236 citations

Advanced Molecular Quantum Mechanics

1974 • 188 citations

Dirac-Fock one-centre calculations. The molecules CuH, AgH and AuH including p-type symmetry functions

1976 • 176 citations

A b i n i t i o studies of AuH, AuCl, HgH and HgCl2 using relativistic effective core potentials

1978 • 146 citations

The direct and indirect effects in the relativistic modification of atomic valence orbitals

1978 • 109 citations

Atomization energies and heats of formation of gaseous Au2, Tb2, TbAu, HoAu, TbAu2, and HoAu2

1974 • 88 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 calculation of the electronic structure of UF6

1979 • 75 citations

Rotational analysis of bands of the gaseous Au2 molecule

1967 • 73 citations

Dirac—Fock one-centre calculations. VI. The tetrahedral and octahedral model systems CeH4, ThH4, CrH6, MoH6, WH6, UH6 and (106)H6

1978 • 73 citations

Relativistic scattered-wave theory

1975 • 73 citations

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

1976 • 66 citations

A relativistic exchange potential

1977 • 54 citations

Radio-Frequency and Microwave Spectra of NaF by the Molecular-Beam Electric-Resonance Method

1964 • 48 citations

A non-parametrized pseudopotential scheme adapted to the Hartree-Fock-Slater model

1977 • 40 citations

Handbook of molecular constants of inorganic compounds

1973 • 35 citations

Quasi‐relativistic approximation in the <scp>SCF‐MO‐LCAO</scp> method

1972 • 22 citations

Multiple scattering formalism for a molecular Dirac equation

1975 • 18 citations

Relativistic effects on deformation densities

1980 • 7 citations