Inclusion of core-valence correlation effects in pseudopotential calculations. I. Alkali atoms and diatoms

Molecular Spectra and Molecular Structure

1979 • 15,902 citations

Note on an Approximation Treatment for Many-Electron Systems

1934 • 13,955 citations

Iterative perturbation calculations of ground and excited state energies from multiconfigurational zeroth-order wavefunctions

1973 • 1,200 citations

The Hartree-Fock Method for Atoms

1979 • 1,111 citations

Configuration interaction in orbital theories

1955 • 583 citations

The Stark Effect from the Point of View of Schroedinger's Quantum Theory

1926 • 509 citations

Non-empirical pseudopotentials for molecular calculations

1977 • 334 citations

A constructive model potential method for atomic interactions

1974 • 180 citations

The molecular electronic structure of the lowest 1Σ+g, 3Σ+u, 1Σ+u, 3Σ+g, 1Πu, 1Πg, 3Πu, and 3Πg states of Na2

1980 • 170 citations

The Use of Perturbation Methods for the Study of the Effects of Configuration Interaction

1967 • 164 citations

The electronic structure of small nickel atom clusters

1980 • 148 citations

Testing the arbitrariness and limits of a pseudopotential technique through calculations on the series of diatoms HF, AlH, HCl, AlF, AlCl, F2, Cl2

1980 • 134 citations

The calculation of dispersion forces

1960 • 131 citations

Calculation of equilibrium geometries and ionization energies of sodium clusters up to Na8

1979 • 112 citations

Pseudopotential calculations for Na2+, Na and Na2−

1976 • 106 citations

Application of Scattering Theory to the Calculation of Alkali Negative-Ion Bound States

1974 • 102 citations

Theoretical transition dipole moments and lifetimes for the A 1Σ+u→X Σ+g system of Na2

1977 • 99 citations

Analytical relativistic self-consistent-field calculations for atoms

1980 • 94 citations

Combination of pseudopotentials and density functionals

1981 • 74 citations

Potential curves and molecular properties of Na2+

1976 • 70 citations

MCSCF pseudopotential calculations for the alkali hydrides and their anions

1981 • 66 citations

The quantal calculation of the photo-ionization cross-section of atomic potassium

1947 • 66 citations

A simplified hartree-fock procedure for atoms with two electrons outside closed shells

1964 • 61 citations

Alkali dimers ground-state calculations using pseudopotentials

1981 • 60 citations

Spectroscopic constants and the dipole moment functions for the 1Σ+ ground state of NaLi

1976 • 56 citations

Valence Electron Studies with Gaussian-Based Model Potentials and Gaussian Basis Functions. I. General Discussion and Applications to the Lowest s and p States of Li and Na

1972 • 40 citations

A b i n i t i o calculation of the X 1Σ+ and A 1Σ+ states of CsH

1981 • 30 citations

Many-Electron Pseudopotential Formalism for Atomic and Molecular Excited-State Calculations

1969 • 20 citations

Core charge polarisation effects in the alkali atoms

1981 • 19 citations

Pseudo potential calculations for Na+2, K+2, Rb+2 and Cs+2

1976 • 17 citations

Core polarisation and relativistic effects in the alkali atoms

1981 • 15 citations

Core charge polarisation effects in atomic systems

1979 • 9 citations