Numerical grids for density functional calculations of molecular properties

Density-functional exchange-energy approximation with correct asymptotic behavior

1988 • 50,231 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

Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation

1986 • 4,006 citations

Optimization of Gaussian-type basis sets for local spin density functional calculations. Part I. Boron through neon, optimization technique and validation

1992 • 2,890 citations

A multicenter numerical integration scheme for polyatomic molecules

1988 • 2,589 citations

New algorithm for the optimization of geometries in local density functional theory

1990 • 639 citations

A standard grid for density functional calculations

1993 • 487 citations

Quadrature schemes for integrals of density functional theory

1993 • 365 citations

Electronic states of Ru2

1991 • 25 citations

Numerical Calculation of Multicentre Integrals for Polyatomic Molecules

1993 • 7 citations