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Abstract

References (35)

New Developments in Molecular Orbital Theory

1951 • 5,347 citations

Self-Consistent Field Theory for Open Shells of Electronic Systems

1960 • 1,927 citations

Self-Consistent Orbitals for Radicals

1954 • 1,548 citations

The Wave Mechanics of an Atom with a Non-Coulomb Central Field. Part I. Theory and Methods

1928 • 1,512 citations

Ab initio potential energy surface for linear H3

1973 • 522 citations

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

1966 • 422 citations

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

1939 • 244 citations

Self-consistent field, with exchange, for beryllium

1935 • 195 citations

Complete multi-configuration self-consistent field theory

1967 • 164 citations

The convergence of the Rayleigh-Ritz Method in quantum chemistry

1977 • 144 citations

Numerical Hartree–Fock–Slater calculations on diatomic molecules

1982 • 139 citations

The partial-wave self-consistent-field method for diatomic molecules: Computational formalism and results for small molecules

1975 • 104 citations

Two‐dimensional fully numerical solutions of molecular Schrödinger equations. I. One‐electron molecules

1983 • 85 citations

Configurations électroniques incomplètes

1954 • 85 citations

Two‐Dimensional fully numerical solutions of molecular Schrödinger equations. II. Solution of the Poisson equation and results for singlet states of H2 and HeH+

1983 • 77 citations

A self-consistent field for methane and its applications

1941 • 76 citations

Prolate-spheroidal orbitals for homonuclear and heteronuclear diatomic molecules. I. Basic procedure

1974 • 67 citations

The Computation of Wave Functions in Momentum Space - I: The Helium Atom

1949 • 64 citations

Two-dimensional fully numerical solutions of molecular Hartree-Fock equations: LiH and BH

1983 • 59 citations

Two-configuration, self-consistent field theory

1966 • 56 citations

Numerical integration over the 𝑛-dimensional spherical shell

1964 • 53 citations

The Computation of Wave Functions in Momentum Space - II: The Hydrogen Molecule Ion

1949 • 52 citations

Molecular orbital wave functions for methane and silane

1956 • 50 citations

Molecular wave functions in momentum space

1981 • 46 citations

A numerical multiconfiguration self-consistent-field method for diatomic molecules

1981 • 46 citations

Completeness and linear independence of basis sets used in quantum chemistry

1977 • 40 citations

Numerical solution of Hartree–Fock equations for a polyatomic molecule: Linear H3 in momentum space

1984 • 39 citations

Two-dimensional fully numerical MC SCF calculations on H2 and LiH: The dipole moment of LiH

1984 • 32 citations

Prolate-spheroidal orbitals for homonuclear and heteronuclear diatomic molecules. II. Shielding effects for the two-electron problem

1974 • 30 citations

Numerical Integration Over the Spherical Shell

1957 • 30 citations

Superposition of configuration results for oxygen

1967 • 14 citations

Comparative Calculations of LCAO-MOs of the Allyl Radical

1957 • 12 citations

Convergence of the Rayleigh—Ritz method in self-consistent-field and multiconfiguration self-consistent-field calculations

1981 • 6 citations

A self-consistent field for the H2molecule

1959 • 4 citations

Théorie quantique des molécules diatomiques : un champ self-consistant pour la molécule d’hydrogène

1959 • 4 citations

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