Self-Consistent Localized Orbitals in Polyatomic Systems

Cancellation of Kinetic and Potential Energy in Atoms, Molecules, and Solids

1961 • 484 citations

General Theory of Pseudopotentials

1962 • 396 citations

Self-Consistent Pseudopotentials and Ultralocalized Functions for Energy Bands

1968 • 252 citations

Gaussian-Expansion Methods for Molecular Integrals

1966 • 230 citations

Computational Methods for Large Molecules and Localized States in Solids

1973 • 225 citations

Sigma molecular orbital theory

1970 • 198 citations

Gaussian Expansions of Atomic Orbitals

1966 • 198 citations

Orbital Theories of Electronic Structure

1962 • 173 citations

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

1969 • 167 citations

Localized Orbitals in Polyatomic Systems

1969 • 137 citations

Combined Plane-Wave Tight-Binding Method for Energy-Band Calculations with Application to Sodium Iodide and Lithium Iodide

1969 • 83 citations

Electronic Structure of NaBr

1971 • 58 citations

Orbital Theories of Electronic Structure. II. Molecularly Invariant Orbitals

1965 • 55 citations