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

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I

1955 • 10,259 citations

New Developments in Molecular Orbital Theory

1951 • 5,347 citations

Ab Initio Computations in Atoms and Molecules

1965 • 1,526 citations

Quantum theory of atomic structure

1961 • 1,152 citations

�ber den Grundterm der Zweielektronenprobleme von H?, He, Li+, Be++ usw.

1930 • 777 citations

Note on Hartree's Method

1930 • 435 citations

The molecular orbital theory of chemical valency XVI. A theory of paired-electrons in polyatomic molecules

1953 • 434 citations

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

1966 • 422 citations

Correlation Energy for Atomic Systems

1963 • 341 citations

The integral formulae for the variational solution of the molecular many-electron wave equation in terms of Gaussian functions with direct electronic correlation

1960 • 307 citations

Brueckner's Theory and the Method of Superposition of Configurations

1958 • 245 citations

Analytic Self-Consistent Field Wavefunctions and Computed Properties for Homonuclear Diatomic Molecules

1964 • 226 citations

Electronic Structure of Molecules

1966 • 170 citations

Correlation Energy in Atomic Systems. IV. Degeneracy Effects

1966 • 169 citations

Complete multi-configuration self-consistent field theory

1967 • 164 citations

Correlation Energy for Atomic Systems. II. Isoelectronic Series with 11 to 18 Electrons

1963 • 141 citations

The Chemical Bond in Molecular Quantum Mechanics

1961 • 90 citations

Two-configuration, self-consistent field theory

1966 • 56 citations

ELECTRON PAIRS IN THE BERYLLIUM ATOM¹

1962 • 52 citations

Dissociation Energy Computations in Diatomic Molecules: An Example

1963 • 39 citations

Optimum-Multiconfiguration Self-Consistent-Field Equations

1965 • 35 citations