Ab-Initio Calculations of Small Hydrides including electron correlation

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

Gaussian-Type Functions for Polyatomic Systems. II

1969 • 3,222 citations

On the Effects of Intramolecular van der Waals Forces

1960 • 292 citations

Directed Valence

1940 • 215 citations

Atomic Bethe-Goldstone Equations. I. The Be Atom

1967 • 200 citations

Pseudonatural Orbitals as a Basis for the Superposition of Configurations. I. He2+

1966 • 192 citations

Many-Electron Theory of Atoms and Molecules. II

1962 • 182 citations

Perturbation Energy Coefficients and Ionization Potentials of the Ground State of Three- to Ten-Electron Isoelectronic Atomic Series

1962 • 181 citations

Direct Calculation of Approximate Natural Orbitals and Natural Expansion Coefficients of Atomic and Molecular Electronic Wavefunctions. II. Decoupling of the Pair Equations and Calculation of the Pair Correlation Energies for the Be and LiH Ground States

1968 • 143 citations

Self-Consistent Group Calculations on Polyatomic Molecules. I. Basic Theory with an Application to Methane

1965 • 142 citations

Molecular Binding Energies

1966 • 127 citations

Atomic Bethe-Goldstone Equations. II. The Ne Atom

1967 • 107 citations

Many-Electron Theory of Atoms and Molecules. V. First-Row Atoms and Their Ions

1964 • 103 citations

Electronic Correlation in Molecules. III. The Paraffin Hydrocarbons¹

1956 • 100 citations

Gaussian Basis SCF Calculations for OH−, H2O, NH3, and CH4

1967 • 82 citations

Correlation Energy in the CH4 Molecule

1963 • 41 citations

On the Correlation Energy in the CH4 Molecule

1964 • 17 citations