Multi‐configuration <scp>SCF</scp> calculations on LiH

Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction

1955 • 3,424 citations

Some Recent Advances in Density Matrix Theory

1960 • 1,428 citations

Electronic Structure of Diatomic Molecules. VI.A. Hartree—Fock Wavefunctions and Energy Quantities for the Ground States of the First-Row Hydrides, AH

1967 • 645 citations

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

1966 • 422 citations

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

1966 • 359 citations

Wave mechanics : advanced general theory

1934 • 312 citations

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

1939 • 244 citations

Multi-Configuration Self-Consistent-Field Theory

1967 • 173 citations

A Generalized Self-Consistent Field Method

1953 • 145 citations

A first solution, for LiH, of a molecular transcorrelated wave equation by means of restricted numerical integration

1969 • 131 citations

On the basis of orbital theories

1955 • 120 citations

Electronic Structure of LiH and Quadrupole Moment of Li⁷

1963 • 96 citations

Configuration Interaction Study of the Lithium Hydride Molecule

1962 • 72 citations

The density matrix in self-consistent field theory - III. Generalizations of the theory

1957 • 43 citations

Optimum-Multiconfiguration Self-Consistent-Field Equations

1965 • 35 citations

Multi-configuration SCF calculations

1968 • 33 citations

Advanced general theory

1934 • 28 citations

Moddellrechnungen zur symmetrischen Vierzentrenbindung. I

1967 • 6 citations