Hellmann–Feynman Theorem for Multiconfiguration Self-Consistent Field Theory and Correlation Energy

Handbuch der Physik

1957 • 6,386 citations

Forces in Molecules

1939 • 3,570 citations

Ab Initio Computations in Atoms and Molecules

1965 • 1,526 citations

Many-Electron Theory of Atoms and Molecules. I. Shells, Electron Pairs vs Many-Electron Correlations

1962 • 523 citations

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

1966 • 422 citations

Generalized brillouin theorem for multiconfigurational <scp>SCF</scp> theories

1968 • 322 citations

Correlation Energy in Atomic Systems. IV. Degeneracy Effects

1966 • 169 citations

Complete multi-configuration self-consistent field theory

1967 • 164 citations

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

1967 • 131 citations

The stability of a wavefunction under a perturbation

1961 • 125 citations

Hellmann-Feynman Theorem and Correlation Energies

1962 • 110 citations

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

1964 • 103 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

On Errors in Hartree—Fock Calculations

1963 • 82 citations

Theory of Atomic Structure Including Electron Correlation

1968 • 82 citations

Many-Electron Theory of Atoms and Molecules. III. Effect of Correlation on Orbitals

1963 • 79 citations

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

1967 • 70 citations

Quantum Theory of Atoms and Molecules

1964 • 59 citations

Comment on Some Theorems of Quantum Chemistry

1966 • 59 citations

Two-configuration, self-consistent field theory

1966 • 56 citations

Orbital Self-Consistent-Field Theory. I. General Theory for Multiconfigurational Wave Functions

1967 • 44 citations

Geometry and barriers to internal rotation in Hartree-Fock theory

1968 • 42 citations

Hellmann—Feynman Theorem and the Correlation Energy of H3+

1966 • 9 citations