Self-Consistent Orbitals for Radicals

New Developments in Molecular Orbital Theory

Clemens Roothaan · Reviews of Modern Physics · 1951 · 5.5K citations

Natural Sciences, Chemistry, Physics +14

<i>LCAO</i> Self-Consistent Field Calculation of the π-Electron Energy Levels of <i>cis</i>- and <i>trans</i>−1,3-Butadiene

Robert G. Parr, Robert S. Mulliken · The Journal of Chemical Physics · 1950 · 126 citations

Natural Sciences, Chemistry, Physics +17

LCAO Self-Consistent Field Calculation of the Ground State of Carbon Dioxide

Joseph F. Mulligan · The Journal of Chemical Physics · 1951 · 111 citations

Natural Sciences, Chemistry, Physics +17

An LCAO MO Self-Consistent Field Calculation of the Ground State of H2O

Frank O. Ellison, Harrison Shull · The Journal of Chemical Physics · 1953 · 44 citations

Natural Sciences, Chemistry, Computational Chemistry +9