Correlation contributions to first ionization potentials of first-row atoms, hydrides and dimers obtained with gradient corrected GGA91 density functionals

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

Molecular Spectra and Molecular Structure

1979 • 15,902 citations

Ab initio molecular orbital theory

1976 • 7,942 citations

Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr

1989 • 6,852 citations

Reference Data on Atoms, Molecules, and Ions

1985 • 1,841 citations

Beyond the local-density approximation in calculations of ground-state electronic properties

1983 • 1,156 citations

Approximate calculation of the correlation energy for the closed shells

1975 • 598 citations

Equivalence of Cellular Automata to Ising Models and Directed Percolation

1984 • 468 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

Correlation Energy of an Electron Gas with a Slowly Varying High Density

1968 • 415 citations

Modern Techniques in Computational Chemistry: MOTECC™-90

1990 • 404 citations

Generalized gradient approximations for exchange and correlation: A look backward and forward

1991 • 324 citations

Electronic structure and bonding of Be2

1984 • 222 citations

Photoionization of the amidogen radical

1985 • 204 citations

PNO–CI and CEPA studies of electron correlation effects. IV. Ionization energies of the first and second row diatomic hydrides and the spectroscopic constants of their ions

1977 • 158 citations

A combined density functional and configuration interaction method

1988 • 84 citations

An application of correlation energy density functionals to atoms and molecules

1986 • 77 citations

Self-consistent implementation of nonlocal exchange and correlation in a Gaussian density-functional method

1991 • 72 citations

Strongly bound multiply excited states of B+2 and B2

1989 • 64 citations

Theoretical study of the ionization potentials of boron dimer

1990 • 63 citations

Generalization of the Colle–Salvetti correlation energy method to a many-determinant wave function

1990 • 61 citations

A density functional for the correlation energy, deduced in the framework of the correlation factor approach

1991 • 42 citations

Theoretical study of the electronic states of BeLi and Be2+

1991 • 36 citations

Molecular Correlation Energies Obtained with a Nonlocal Density Functional

1984 • 32 citations

Study of the density and temperature dependences of the vibrational Raman transition in compressed liquid N2

1991 • 24 citations