Fe and Ni AB initio effective potentials for use in molecular calculations

Gaussian Basis Set for Molecular Wavefunctions Containing Third-Row Atoms

1970 • 3,336 citations

New Method for Calculating Wave Functions in Crystals and Molecules

1959 • 1,207 citations

Cancellation of Kinetic and Potential Energy in Atoms, Molecules, and Solids

1961 • 484 citations

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

1972 • 376 citations

Atomic and molecular calculations with the model potential method. I

1974 • 339 citations

Ab Initio Effective Potentials for Use in Molecular Calculations

1972 • 145 citations

New Foundation for the Use of Pseudopotentials in Metals

1968 • 93 citations

Use of Ab Initio G1 Effective Potentials for Calculations of Molecular Excited States

1972 • 59 citations

A direct test of the validity of the use of pseudopotentials in molecules

1968 • 56 citations

The theoretical description of an asymmetric, nonresonant charge transfer process; Li + Na+ ⇌ Li+ + Na the two-state approximation

1972 • 35 citations

Valence electron studies with Gaussian-based model potentials and Gaussian basis functions. III Applications to two-valence-electron systems composed of combinations of Li, Na, H, or their unipositive ions

1974 • 33 citations

Pseudopotential studies of the water and hydrogen fluoride molecules

1973 • 28 citations