van der Waals bonds in density-functional theory

Optimized effective atomic central potential

1976 • 1,177 citations

Construction and application of an accurate local spin-polarized Kohn-Sham potential with integer discontinuity: Exchange-only theory

1992 • 739 citations

Van der Waals interaction between an atom and a solid surface

1976 • 660 citations

Exact Kohn-Sham scheme based on perturbation theory

1994 • 543 citations

van der Waals Interactions in Density-Functional Theory

1996 • 493 citations

van der Waals Energies in Density Functional Theory

1998 • 493 citations

An examination of a b i n i t i o results for the helium potential energy curve

1991 • 391 citations

Exact Kohn-Sham Exchange Potential in Semiconductors

1997 • 338 citations

A density functional theory study of frequency-dependent polarizabilities and Van der Waals dispersion coefficients for polyatomic molecules

1995 • 318 citations

Benchmark calculations with correlated molecular wavefunctions. XIII. Potential energy curves for He2, Ne2 and Ar2 using correlation consistent basis sets through augmented sextuple zeta

1999 • 288 citations

A Study of Two-Center Integrals Useful in Calculations on Molecular Structure. II. The Two-Center Exchange Integrals

1951 • 272 citations

Accurate optimized-potential-model solutions for spherical spin-polarized atoms: Evidence for limitations of the exchange-only local spin-density and generalized-gradient approximations

1993 • 250 citations

Electronic Density Functional Theory

1998 • 237 citations

Successful Test of a Seamless van der Waals Density Functional

1999 • 197 citations

Constraint Satisfaction in Local and Gradient Susceptibility Approximations: Application to a van der Waals Density Functional

1996 • 187 citations

Potential-energy functions of diatomic molecules of the noble gases I. Like nuclear species

1992 • 179 citations

Benchmark calculations with correlated molecular wave functions. V. The determination of accurate ab initio intermolecular potentials for He2, Ne2, and Ar2

1994 • 176 citations

From explicit to implicit density functionals

1999 • 165 citations

Fluctuation attraction in condensed matter: A nonlocal functional approach

1991 • 146 citations

Exact Exchange Potential Band-Structure Calculations by the Linear Muffin-Tin Orbital–Atomic-Sphere Approximation Method for Si, Ge, C, and MnO

1995 • 125 citations

Application of the generalized-gradient approximation to rare-gas dimers

1997 • 119 citations

Density Functional for van der Waals Forces at Surfaces

1996 • 118 citations

Toward the description of van der Waals interactions within density functional theory

1999 • 108 citations

Density functional results for isotropic and anisotropic multipole polarizabilities and C6, C7, and C8 Van der Waals dispersion coefficients for molecules

1997 • 102 citations

Relativistic optimized-potential method: Exact transverse exchange and Møller-Plesset-based correlation potential

1998 • 91 citations

Energy Gaps and Cohesive Energy of Ge from the Optimized Effective Potential

1995 • 77 citations

Gradient-corrected correlation with nearly exact Kohn-Sham exchange: Calculations for Si and Ge

1997 • 41 citations

CCSD(T) investigation of the interaction in neon dimer

1999 • 35 citations

Accurate numerical study of the stability of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Na</mml:mi></mml:mrow><mml:mrow><mml:mn>19</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>-cluster dimers

1993 • 22 citations

Interaction energy between two ground-state helium atoms using many-body perturbation theory

1980 • 18 citations