A generalab initio molecular multi-configuration self-consistent field algorithm

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

1966 • 422 citations

Configuration Interaction Studies of Ground and Excited States of Polyatomic Molecules. I. The CI Formulation and Studies of Formaldehyde

1969 • 284 citations

Multi-Configuration Self-Consistent-Field Theory

1967 • 173 citations

Complete multi-configuration self-consistent field theory

1967 • 164 citations

New Techniques for the Computation of Multiconfiguration Self-Consistent Field (MCSCF) Wavefunctions

1972 • 116 citations

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

1970 • 113 citations

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

1970 • 46 citations

Dimerization of Methylenes by Their Least Motion, Coplanar Approach: A Multiconfiguration Self-Consistent Field Study

1971 • 44 citations

Double Configuration Self-Consistent Field Study of the Πu1, 3Πu, 1Πg and Πg3 States of H2

1969 • 42 citations

Multi-configuration SCF calculations

1968 • 33 citations

Open-shell multi-configuration self-consistent-field results for the lowest energy 1(π, π*) state of planar ethylene

1973 • 26 citations

A General SCF Formalism

1969 • 23 citations