Electron correlation in small metal clusters. Application of a theory of self-consistent electron pairs to the Be4 system

Roothaan-Hartree-Fock atomic wavefunctions

1974 • 5,462 citations

PNO–CI Studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals, and application to the ground state and ionized states of methane

1973 • 988 citations

Accurate calculation of the attractive interaction of two ground state helium atoms

1973 • 572 citations

Theory of self-consistent electron pairs. An iterative method for correlated many-electron wavefunctions

1976 • 352 citations

Hartree-Fock-Roothaan wavefunctions for diatomic molecules

1974 • 273 citations

Principles of surface chemistry

1972 • 230 citations

The electronic structure of atoms and molecules : a survey of rigorous quantum mechanical results

1972 • 224 citations

Correlation Energy in Atomic Systems. IV. Degeneracy Effects

1966 • 169 citations

Interatomic correlation energy and the van der Waals attraction between two helium atoms

1971 • 156 citations

Approximate Wave Functions for Atomic Be

1960 • 152 citations

A theory of self-consistent electron pairs. Computational methods and preliminary applications

1976 • 125 citations

Model studies of chemisorption. Interaction between atomic hydrogen and beryllium clusters

1975 • 121 citations

Vibrational levels near dissociation in Mg2 and long-range forces

1973 • 74 citations

On the role of d electrons in chemisorption and catalysis on transition metal surfaces

1976 • 60 citations

Optimized Valence Configurations and the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">F</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>Molecule

1970 • 53 citations

Tetrahedral Be4

1976 • 50 citations

New Approach to Electronic Structure Calculations for Diatomic Molecules: Application to F2 and Cl2

1970 • 44 citations

On the interaction of a hydrogen atom with a lithium metal surface

1973 • 42 citations

Hartree‐Fock Calculation of Electron States in Small Aggregates of Lithium and Beryllium Atoms

1972 • 36 citations

Correlation diagram for He + He → Be

1974 • 35 citations

CATALYSIS

1974 • 32 citations

Ab initio calculation of the neon-neon Σg+1 potential at intermediate separations

1974 • 32 citations

Elementary reactions on surfaces

1976 • 29 citations