First‐order properties and the Hellmann–Feynman theorem in the case of a limited <scp>CI</scp> wave function

Forces in Molecules

1939 • 3,570 citations

Molecular Orbitals in Chemistry Physics and Biology

1965 • 774 citations

Force Constants and Dipole-Moment Derivatives of Molecules from Perturbed Hartree–Fock Calculations. I

1968 • 626 citations

A new method for large-scale Cl calculations

1972 • 507 citations

Perturbed Hartree—Fock Calculations. I. Magnetic Susceptibility and Shielding in the LiH Molecule

1963 • 502 citations

The Variation Method in Quantum Chemistry

1974 • 374 citations

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

1966 • 359 citations

Manual for SCHOONSCHIP a CDC 6000/7000 program for symbolic evaluation of algebraic expressions

1974 • 322 citations

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

1968 • 322 citations

Perturbed Hartree–Fock Theory. I. Diagrammatic Double-Perturbation Analysis

1969 • 289 citations

Molecular electric polarizabilities. Electronic-field-variant (EFV) gaussian basis set for polarizability calculations

1977 • 168 citations

An order analysis of the particle–hole propagator

1977 • 138 citations

Near Hartree—Fock Calculations of the Force Constants and Dipole Moment Derivatives in Methane

1972 • 123 citations

Molecular <scp>MC</scp>–<scp>SCF</scp> calculations

1970 • 113 citations

Hellmann-Feynman Theorem and Correlation Energies

1962 • 110 citations

Electric Dipole Moment of Diatomic Molecules by Configuration Interaction. I. Closed-Shell Molecules

1971 • 102 citations

Calculation of molecular one-electron properties using coupled Hartree-Fock methods

1973 • 82 citations

Molecular electric polarizabilities

1977 • 68 citations

Finite-field method calculations of molecular polarisabilities. II. Theoretical analysis of the correlation corrections with application to some pseudo-two-electron systems

1977 • 66 citations

Calculation of molecular one-electron properties using coupled Hartree-Fock methods

1973 • 47 citations

Coupled multiconfiguration self-consistent field (MC SCF) perturbation theory

1975 • 44 citations

Analytic techniques for the coupled multiconfiguration <scp>SCF</scp> perturbation theory

1977 • 24 citations

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

1969 • 23 citations

On the MC SCF theory of closed-shell systems

1973 • 18 citations

Dipole moments and polarizabilities in excited singlet states and the generalized Hellmann-Fernman theorem

1969 • 13 citations

The convergence properties of direct energy minimisation with respect to linear coefficients in the MC-LCAO-MO-SCF approach

1975 • 10 citations