A density-functional model of the dispersion interaction

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

1988 • 93,162 citations

CRC Handbook of Chemistry and Physics

2014 • 56,288 citations

Density-functional exchange-energy approximation with correct asymptotic behavior

1988 • 50,231 citations

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

1970 • 20,717 citations

Atoms in molecules : a quantum theory

1990 • 11,853 citations

Numerical Recipes in FORTRAN

1988 • 8,067 citations

Bonded-atom fragments for describing molecular charge densities

1977 • 6,109 citations

Accurate description of van der Waals complexes by density functional theory including empirical corrections

2004 • 4,682 citations

A multicenter numerical integration scheme for polyatomic molecules

1988 • 2,589 citations

Development and assessment of new exchange-correlation functionals

1998 • 1,417 citations

Correlation energy of an inhomogeneous electron gas: A coordinate-space model

1988 • 892 citations

A post-Hartree–Fock model of intermolecular interactions

2005 • 871 citations

Benchmark Databases for Nonbonded Interactions and Their Use To Test Density Functional Theory

2005 • 857 citations

Exchange holes in inhomogeneous systems: A coordinate-space model

1989 • 786 citations

Highly Accurate Coupled Cluster Potential Energy Curves for the Benzene Dimer: Sandwich, T-Shaped, and Parallel-Displaced Configurations

2004 • 684 citations

Exchange-hole dipole moment and the dispersion interaction

2005 • 585 citations

The Magnitude of the CH/π Interaction between Benzene and Some Model Hydrocarbons

2000 • 514 citations

Ground-state correlation energies for atomic ions with 3 to 18 electrons

1993 • 513 citations

Origin of the Attraction and Directionality of the NH/π Interaction: Comparison with OH/π and CH/π Interactions

2000 • 379 citations

Real-space post-Hartree–Fock correlation models

2005 • 259 citations

Application of 25 density functionals to dispersion-bound homomolecular dimers

2004 • 240 citations

A real-space model of nondynamical correlation

2003 • 211 citations

Numerical solution of Schrödinger’s equation in polyatomic molecules

1990 • 143 citations

Current density in exchange-correlation functionals: Application to atomic states

2002 • 124 citations

Thermochemical tests of a kinetic-energy dependent exchange-correlation approximation

1994 • 84 citations

Current-density dependent exchange-correlation functionals

1996 • 70 citations

Intermolecular interaction potential of the carbon dioxide dimer

1998 • 65 citations

Magnitude and orientation dependence of intermolecular interaction between perfluoroalkanes: High level ab initio calculations of CF4 and C2F6 dimers

2002 • 49 citations

Ab initio study of Rg–N2 and Rg–C2 van der Waals complexes (Rg=He, Ne, Ar)

2003 • 45 citations

CCSD(T) intermolecular potential between He atom and ClF molecule: Comparison with experiment

2003 • 37 citations

High‐level ab initio methods for calculation of potential energy surfaces of van der Waals complexes

2004 • 35 citations

An investigation of the structure of weakly bound (OCS)2

1993 • 35 citations

A theoretical study of the dispersion-bound silane–methane dimer

2004 • 10 citations