Second row homopolar diatomic molecules. Potential curves, spectroscopic constants, and dissociation energies at the basis set limit for SCF and limited CI wave functions

Roothaan-Hartree-Fock atomic wavefunctions

1974 • 5,462 citations

Constants of diatomic molecules

1979 • 5,108 citations

The World of Quantum Chemistry

1974 • 678 citations

Classification of configurations and the determination of interacting and noninteracting spaces in configuration interaction

1973 • 220 citations

Many-Electron Theory of Nonclosed-Shell Atoms and Molecules. I. Orbital Wavefunction and Perturbation Theory

1966 • 203 citations

Multiple substitution effects in configuration interaction calculations

1978 • 176 citations

Theoretical prediction of the potential curves for the lowest-lying states of the isovalent diatomics CN+, Si2, SiC, CP+, and SiN+ using the a b i n i t i o MRD-CI method

1980 • 152 citations

Diatomic sulfur: Low lying bound molecular electronic states of S2

1979 • 79 citations

Theoretical prediction of the potential curves for the lowest-lying states of the CSi+ and Si2+ molecular ions

1981 • 44 citations

A b i n i t i o calculations on the 3Σg−, 1Σg+, 3Πg, and 1Πg symmetries of S2: Valence, ion pair, and Rydberg states

1980 • 13 citations