Electron Correlation in the Lowest Σ+1 State of Beryllium Oxide

Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms

1970 • 4,990 citations

Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction

1955 • 3,424 citations

Dissociation energies and spectra of diatomic molecules

1953 • 620 citations

Extended Hartree—Fock Wavefunctions: Optimized Valence Configurations for H2 and Li2, Optimized Double Configurations for F2

1966 • 422 citations

A Natural Orbital Based Energy Calculation for Helium Hydride and Lithium Hydride

1966 • 359 citations

Electronic Structure of N2, CO, and BF

1964 • 286 citations

Computation of Molecular Properties and Structure

1968 • 232 citations

Many-Electron Theory of Nonclosed-Shell Atoms and Molecules. I. Orbital Wavefunction and Perturbation Theory

1966 • 203 citations

An Extension of the Phillips System of C_{2} and a Survey of C_{2} States.

1963 • 183 citations

Correlation Energy in Atomic Systems. IV. Degeneracy Effects

1966 • 169 citations

The Method of Optimized Valence Configurations: A Reasonable Application of the Multiconfiguration Self-Consistent-Field Technique to the Quantitative Description of Chemical Bonding

1970 • 142 citations

Atomic Hyperfine Structure. II. First-Order Wave Functions for the Ground States of B,C,N,O, and F

1969 • 137 citations

Ab Initio Potential Curve for the X 3Σg− State of O2

1971 • 130 citations

Vaporization of Beryllium Oxide and Its Reaction with Tungsten

1959 • 116 citations

Valence-Excited States of Carbon Monoxide

1970 • 108 citations

Dissociation Energies and Free Energy Functions of Gaseous Monoxides

1969 • 106 citations

Correlation Energy and Molecular Properties of Hydrogen Fluoride

1967 • 85 citations

Low-Lying Energy Levels of Magnesium Oxide

1966 • 62 citations

Valence Excited States of BeO

1967 • 54 citations

Valence Levels of Beryllium Oxide

1966 • 53 citations

Computed Potential Curve and Spectroscopic Constants for Beryllium Oxide Ground State in Molecular Orbital Approximation

1964 • 51 citations

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

1970 • 44 citations

Computed Ground State properties of BeO, MgO, CaO and SrO in Molecular Orbital Approximation

1968 • 43 citations

Electronic Structure and Low-Lying Triplet States of CaO

1970 • 43 citations

Metastability of the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mmultiscripts><mml:mrow><mml:mi>D</mml:mi></mml:mrow><mml:mprescripts /><mml:mrow /><mml:mrow><mml:mn>1</mml:mn></mml:mrow><mml:mrow /><mml:mrow /></mml:mmultiscripts></mml:mrow></mml:math>State of the Nitrogen Negative Ion

1968 • 38 citations

Diatomic molecule symmetry eigenfunctions by direct diagonalization

1970 • 18 citations