Ab-initio SCF calculations by a generalized coupling operator method

New Developments in Molecular Orbital Theory

1951 • 5,347 citations

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

1970 • 4,990 citations

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

Gaussian-Type Functions for Polyatomic Systems. II

1969 • 3,222 citations

Self-Consistent Field Theory for Open Shells of Electronic Systems

1960 • 1,927 citations

Excited States of H2O using improved virtual orbitals

1969 • 599 citations

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

1966 • 422 citations

General SCF operator satisfying correct variational condition

1973 • 165 citations

Complete multi-configuration self-consistent field theory

1967 • 164 citations

Calculations on the electronic spectrum of water

1974 • 144 citations

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

1967 • 131 citations

The calculation of spin-restricted single-determinant wavefunctions

1974 • 122 citations

Analytical Methods in Hartree-Fock Self-Consistent Field Theory

1961 • 107 citations

Coupling Operator Method in the SCF Theory

1969 • 104 citations

Self-Consistent-Field Theory. I. General Treatment

1963 • 88 citations

Multiconfiguration Self-Consistent-Field Theory for Localized Orbitals. I. The Orbital Equations

1972 • 73 citations

Triplet excitation of water and methanol by low-energy electron-impact spectroscopy

1972 • 70 citations

Generalized open shell SCF theory

1974 • 45 citations

Some remarks about a generalized SCF coupling operator open shell theory

1975 • 37 citations

MC SCF calculations on the lowest triplet state of H2O

1973 • 36 citations

Best Choice for the Coupling Operators in the Open-Shell and Multiconfiguration SCF Methods

1968 • 21 citations