Roothaan-Hartree-Fock atomic wavefunctions

New Developments in Molecular Orbital Theory

1951 • 5,347 citations

Atomic Screening Constants from SCF Functions

1963 • 2,375 citations

Self-Consistent Field Theory for Open Shells of Electronic Systems

1960 • 1,927 citations

Ab Initio Computations in Atoms and Molecules

1965 • 1,526 citations

Tables of Atomic Functions

1965 • 551 citations

Accurate Analytical Self-Consistent Field Functions for Atoms. II. Lowest Configurations of the Neutral First Row Atoms

1962 • 294 citations

Atomic Negative Ions

1964 • 260 citations

Simple Basis Set for Molecular Wavefunctions Containing First- and Second-Row Atoms

1964 • 245 citations

Analytical Self-Consistent Field Functions for Positive Ions. I. Isoelectronic Series with 2 to 10 Electrons

1963 • 128 citations

Simple basis sets for molecular wavefunctions containing atoms from Z = 2 to Z = 54

1974 • 121 citations

Atomic Negative Ions. Second Period

1964 • 107 citations

Analytical Methods in Hartree-Fock Self-Consistent Field Theory

1961 • 107 citations

Analytical Self-Consistent Field Functions for Positive Ions. II. Isoelectronic Series with 11 to 18 Electrons

1963 • 60 citations

Atomic Negative Ions: The Iron Series

1964 • 58 citations

Analytical Hartree—Fock Functions. IV. Isoelectronic Series for 31 to 36 Electrons and Conclusions

1964 • 47 citations

Analytical Hartree‐Fock wavefunctions for the neutral atoms from helium to xenon

1974 • 31 citations

Reaction Rates of Xenon Fluorides with Oxides of Nitrogen

1964 • 30 citations