Are atoms intrinsic to molecular electronic wavefunctions? III. Analysis of FORS configurations

Are atoms intrinsic to molecular electronic wavefunctions? I. The FORS model

1982 • 496 citations

Effective convergence to complete orbital bases and to the atomic Hartree–Fock limit through systematic sequences of Gaussian primitives

1979 • 477 citations

Self-Consistent Procedures for Generalized Valence Bond Wavefunctions. Applications H3, BH, H2O, C2H6, and O2

1972 • 376 citations

<scp>MCSCF</scp> optimization through combined use of natural orbitals and the brillouin–levy–berthier theorem

1979 • 308 citations

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

1964 • 226 citations

Atoms in molecules and crystals

1951 • 219 citations

Are atoms sic to molecular electronic wavefunctions? II. Analysis of fors orbitals

1982 • 162 citations

Generalized orbital description of the reactions of small molecules

1971 • 107 citations

The electronic structure of the oxygen molecule

1951 • 102 citations

Theoretical study of molecular dipole moment functions. I. The X 1Σ+ state of CO

1977 • 101 citations

Multistructure Valence-Bond and Atoms-in-Molecules Calculations for LiF, F2, and F2−

1969 • 88 citations

Generalized valence bond calculations on the ground state (X 1Σ+g) of nitrogen

1976 • 63 citations

On the Method of Atoms in Molecules II: An Intra-Atomic Correlation Correction

1956 • 51 citations

On the Method of Atoms in Molecules

1955 • 38 citations

Role of Atomic Valence States in Molecular Energy Calculations

1958 • 35 citations

Elimination of Atomic Errors from Molecular Calculations

1963 • 13 citations