A study of the valence orbitals of H2S by electron momentum spectroscopy: Quantitative comparisons using Hartree-Fock limit and correlated wavefunctions

Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules

R. Ditchfield, Warren J. Hehre, John A. Pople · The Journal of Chemical Physics · 1971 · 10.5K citations

Natural Sciences, Chemistry, Physics +15

Self-consistent molecular orbital methods. XXIII. A polarization-type basis set for second-row elements

Michelle Francl, William J. Pietro, Warren J. Hehre et al. · The Journal of Chemical Physics · 1982 · 8.2K citations · Full text

Natural Sciences, Chemistry, Physics +16

Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–F

Timothy Clark, Jayaraman Chandrasekhar, Günther W. Spitznagel et al. · Journal of Computational Chemistry · 1983 · 7.1K citations

Natural Sciences, Chemistry, Computational Chemistry +6

(e, 2e) spectroscopy

I. E. McCarthy, E. Weigold · Physics Reports · 1976 · 445 citations

One-electron properties of several small molecules using near Hartree–Fock limit basis sets

David Feller, Caroline M. Boyle, Ernest R. Davidson · The Journal of Chemical Physics · 1987 · 236 citations

Natural Sciences, Chemistry, Physics +15