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

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

1980 • 19,673 citations

Ground State of the Electron Gas by a Stochastic Method

1980 • 13,746 citations

Gaussian-Type Functions for Polyatomic Systems. II

1969 • 3,222 citations

A proper account of core-polarization with pseudopotentials: single valence-electron alkali compounds

1982 • 957 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

Molecular Charge Distributions and Chemical Binding

1967 • 485 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

Configuration Interaction in Simple Atomic Systems

1961 • 438 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

Non-empirical pseudopotentials for molecular calculations

1977 • 334 citations

Finite perturbation calculations for the static dipole polarizabilities of the first-row atoms

1976 • 326 citations

Correlation energies in the spin-density functional formalism

1980 • 254 citations

Finite perturbation calculation for the static dipole polarizabilities of the atoms Na through Ca

1976 • 252 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

Influence of an improved local-spin-density correlation-energy functional on the cohesive energy of alkali metals

1980 • 123 citations

Combination of pseudopotentials and density functionals

1981 • 74 citations

Density difference representation of electron correlation

1978 • 35 citations

Accuracy and limitations of the pseudopotential method

1977 • 30 citations

Ab-initio calculation, using ab-initio pseudopotentials, of some electronic properties of ethane, methylsilane and disilane

1977 • 28 citations

Reliable static electric dipole polarizabilities for heavy elements

1982 • 27 citations

Atomic Hartree–Fock Theory

1980 • 18 citations