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

Quantum Theory of Many-Particle Systems. III. Extension of the Hartree-Fock Scheme to Include Degenerate Systems and Correlation Effects

1955 • 1,103 citations

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

1966 • 422 citations

Studies in Configuration Interaction: The First-Row Diatomic Hydrides

1969 • 395 citations

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

1966 • 359 citations

Superposition of Configurations and Natural Spin Orbitals. Applications to the He Problem

1959 • 305 citations

Self-consistent field, including exchange and superposition of configurations, with some results for oxygen

1939 • 244 citations

Direct Determination of Natural Orbitals and Natural Expansion Coefficients of Many-Electron Wavefunctions. I. Natural Orbitals in the Geminal Product Approximation

1964 • 235 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

Multi-Configuration Self-Consistent-Field Theory

1967 • 173 citations

Correlation Energy in Atomic Systems. IV. Degeneracy Effects

1966 • 169 citations

Complete multi-configuration self-consistent field theory

1967 • 164 citations

A Generalized Self-Consistent Field Method

1953 • 145 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

Extended Hartree—Fock Ground-State Wavefunctions for the Lithium Molecule

1967 • 131 citations

On the basis of orbital theories

1955 • 120 citations

Study of the Electronic Structure of Molecules. I. Molecular Wavefunctions and Their Analysis

1967 • 101 citations

Many-Electron Theory of Atoms and Molecules. IV. Be Atom and Its Ions

1964 • 99 citations

Correlation Energy and Molecular Properties of Hydrogen Fluoride

1967 • 85 citations

Quantum-Mechanical Calculations for the Electric Field Gradients and other Electronic Properties of Lithium Hydride: The Use of Mixed Orbital Sets

1964 • 85 citations

Molecular Schrödinger Equation. I. One-Electron Solutions

1964 • 72 citations

Extended Hartree—Fock Wavefunctions: General Theory of Optimized-Valence Configurations and Its Application to Diatomic Molecules

1967 • 70 citations

Study of Separated Electron Pairs in the LiH Molecule

1965 • 61 citations

A configuration interaction study of the four lowest ¹∑⁺ states of the LiH molecule

1968 • 56 citations

Two-configuration, self-consistent field theory

1966 • 56 citations

Confirmation of the Discrepancy Between the Theoretical and Experimental Ground-State Energies of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">H</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

1968 • 54 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

Correlation Energy Calculation for the 1Σg+ Ground State of the Nitrogen Molecule

1965 • 50 citations

THE RAMAN SPECTRUM OF FLUORINE

1951 • 49 citations

Absorption Spectrum of Fluorine in the Vacuum Ultraviolet

1959 • 42 citations

Double Configuration Self-Consistent Field Study of the Πu1, 3Πu, 1Πg and Πg3 States of H2

1969 • 42 citations

The Theory of Pair-Correlated Wave Functions

1966 • 41 citations

The two-configuration approximation for four-electron ions

1961 • 41 citations

Dissociation Energy of Fluorine

1969 • 38 citations

Optimum-Multiconfiguration Self-Consistent-Field Equations

1965 • 35 citations

Advanced general theory

1934 • 28 citations

Accurate Perturbation-Variation Treatment of the Hydrogen Molecule

1968 • 26 citations

317. The dissociation energy of fluorine

1950 • 24 citations

Approximate Hartree-Fock Calculations on Small Molecules

1967 • 21 citations

Recent developments in the theory of one‐ and two‐electron molecules

1968 • 19 citations

Scaled <scp>AMO</scp> calculations on the hydrogen molecule IV. General remarks

1968 • 2 citations