A configuration interaction calculation of the potential energy surface of Li₃

Gaussian-Type Functions for Polyatomic Systems. II

1969 • 3,222 citations

Potential Energy Surface for H3

1964 • 665 citations

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

1966 • 422 citations

Brillouin's theorem in Roothaan's open-shell SCF method

1972 • 52 citations

Reactive scattering of alkali dimers. Alkali atom-dimer exchange reactions

1973 • 51 citations

Interaction Energies and Transport Coefficients of Li+H and O+H Gas Mixtures at High Temperatures

1963 • 50 citations

Applications of Diatomics-in-Molecules Theory. II. Prediction of a Stable Li3 Molecule

1968 • 49 citations

Potential energy surfaces for H + Li2 → LiH + Li ground state surface from large scale configuration interaction

1975 • 45 citations

Semi-empirical potential energy surfaces for alkali atom-dimer exchange reactions

1973 • 33 citations

Ab initio restricted Hartree—Fock and configuration interaction calculations for Li3

1976 • 32 citations

General discussion

1973 • 18 citations

Summary of LCAO computations of energy and electronic structures of the molecule Li2 in the ground state and in some excited states

1963 • 16 citations