Spin-restricted open-shell self-consistent-field theory

Self-Consistent Field Theory for Open Shells of Electronic Systems

Clemens Roothaan · Reviews of Modern Physics · 1960 · 2K citations

Natural Sciences, Physics, Computational Physics +12

The orthogonality constrained basis set expansion method for treating off-diagonal lagrange multipliers in calculations of electronic wave functions

William J. Hunt, Thom H. Dunning, William A. Goddard · Chemical Physics Letters · 1969 · 124 citations

Natural Sciences, Mathematics, Computational Chemistry +8

Analytical Methods in Hartree-Fock Self-Consistent Field Theory

Sigeru Huzinaga · Physical Review · 1961 · 109 citations

Natural Sciences, Chemistry, Physics +14

Theoretical Study of the MgH Molecule

Arthur C. H. Chan, Ernest R. Davidson · The Journal of Chemical Physics · 1970 · 56 citations

Natural Sciences, Chemistry, Physics +16