An application of correlation energy density functionals to atoms and molecules

Self-Consistent Equations Including Exchange and Correlation Effects

1965 • 57,451 citations

Inhomogeneous Electron Gas

1964 • 48,242 citations

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

1980 • 19,673 citations

Density-functional approximation for the correlation energy of the inhomogeneous electron gas

1986 • 17,918 citations

Molecular Spectra and Molecular Structure

1979 • 15,902 citations

Ground State of the Electron Gas by a Stochastic Method

1980 • 13,746 citations

Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalism

1976 • 3,562 citations

Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction

1955 • 3,424 citations

An atomic multiconfigurational Dirac-Fock package

1980 • 1,713 citations

Binding energies in atomic negative ions

1975 • 1,526 citations

Electron correlation theories and their application to the study of simple reaction potential surfaces

1978 • 1,027 citations

Atomic Energy Levels and Grotrian Diagrams

1975 • 737 citations

A program to calculate transverse Breit and QED corrections to energy levels in a multiconfiguration Dirac-Fock environment

1980 • 551 citations

PNO–CI and CEPA studies of electron correlation effects. III. Spectroscopic constants and dipole moment functions for the ground states of the first-row and second-row diatomic hydrides

1975 • 529 citations

Study of the electronic structure of molecules. XXI. Correlation energy corrections as a functional of the Hartree-Fock density and its application to the hydrides of the second row atoms

1974 • 436 citations

An atomic multiconfigurational Dirac-Fock package

1984 • 368 citations

Easily Implementable Nonlocal Exchange-Correlation Energy Functional

1981 • 320 citations

Correlation energies in the spin-density functional formalism

1980 • 254 citations

On the calculation of correlation energies in the spin-density functional formalism

1978 • 253 citations

A Spin Dependent Version of the Langreth-Mehl Exchange-Correlation Functional

1985 • 224 citations

Electronic structure and bonding of Be2

1984 • 222 citations

Study of the electronic structure of molecules. XXII. Correlation energy corrections as a functional of the Hartree-Fock type density and its application to the homonuclear diatomic molecules of the second row atoms

1974 • 220 citations

Density-functional theory of the correlation energy in atoms and ions: A simple analytic model and a challenge

1981 • 156 citations

On the calculation of correlation energies in the spin-density functional formalism

1978 • 146 citations

Configuration-interaction study of atoms. II. Electron affinities of B, C, N, O, and F

1974 • 128 citations

Correlation energies for AH_nmolecules and cations

1975 • 92 citations

Density Functionals for Correlation Energies of Atoms and Molecules

1985 • 88 citations

A program to calculate transverse breit and QED corrections to energy levels in a multiconfiguration Dirac-Fock environment

1984 • 81 citations

Thermochemistry in the Hartree-Fock Approximation

1973 • 33 citations

Inhomogeneity corrections to the ground-state properties of itinerant ferromagnets

1977 • 26 citations

Local spin density functional analysis of exchange and correlation effects on some first row diatomic molecules

1985 • 21 citations

The correlated electron density of the Li atom — a test for density functionals and semi-empirical pseudopotentials

1982 • 20 citations

The correlated electron density of alkali atoms: Pseudopotential and density-functional results

1983 • 8 citations