A steepest-descent method for the calculation of localized orbitals and pseudoorbitals

Inhomogeneous Electron Gas

1964 • 48,242 citations

Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalism

1976 • 3,562 citations

The Structure of Electronic Excitation Levels in Insulating Crystals

1937 • 2,008 citations

Molecular Orbitals in Chemistry Physics and Biology

1965 • 774 citations

Localized bond orbitals and the correlation problem

1969 • 400 citations

Correlation Energy in Atomic Systems. V. Degeneracy Effects for the Second-Row Atoms

1968 • 296 citations

Application of a Self-Consistent Scheme Including Exchange and Correlation Effects to Atoms

1966 • 279 citations

On the Solution of the Hartree-Fock Equation in Terms of Localized Orbitals

1961 • 248 citations

The density matrix in self-consistent field theory I. Iterative construction of the density matrix

1956 • 197 citations

Density Localization of Atomic and Molecular Orbitals. I

1972 • 189 citations

Localized Orbitals for Molecular Quantum Theory. I. The Hückel Theory

1969 • 167 citations

Muffin-tin orbitals and the total energy of atomic clusters

1977 • 143 citations

Localized Orbitals in Polyatomic Systems

1969 • 137 citations

Interaction potential between two rigid HF molecules

1974 • 137 citations

Ab Initio Calculations on Large Molecules

1972 • 106 citations

Optimization of SCF LCAO wave functions

1970 • 103 citations

Self-consistent, nonorthogonal group function approximation for polyatomic systems. I. Closed shells

1977 • 76 citations

On the direct calculation of localized HF orbitals in molecule clusters, layers and solids

1977 • 64 citations

Direct determination of localized SCF orbitals

1974 • 59 citations

Localized orbital SCF and CI studies of ground electronic states

1973 • 35 citations

Expansion methods for Adams–Gilbert equations. I. Modified Adams–Gilbert equation and common and fluctuating basis sets

1977 • 34 citations

A theory of molecules in molecules

1974 • 28 citations

Single-center orbital localization

1974 • 16 citations

Computation of the SCF Molecular Orbital Wavefunction in Terms of Localized Orbitals

1967 • 16 citations

Self-Consistent Localized Orbitals in Polyatomic Systems

1975 • 5 citations

Eigenvalue independent partitioning and direct minimization in self-consistent field theory

1977 • 4 citations