A derivation of general open-shell SCF equations for atoms and molecules with a Green function method

New Developments in Molecular Orbital Theory

1951 • 5,347 citations

Self-Consistent Field Theory for Open Shells of Electronic Systems

1960 • 1,927 citations

CI method for the study of general molecular potentials

1968 • 132 citations

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

1969 • 121 citations

Analytical Methods in Hartree-Fock Self-Consistent Field Theory

1961 • 107 citations

Applicability of Roothaan's Self-Consistent Field Theory

1960 • 107 citations

Coupling Operator Method in the SCF Theory

1969 • 104 citations

Self-Consistent-Field Theory. I. General Treatment

1963 • 88 citations

The proper treatment of off-diagonal lagrange multipliers and coupling operators in self-consistent field equations

1969 • 71 citations

Self-Consistent-Field Theory. II. The LCAO Approximation

1964 • 35 citations

On the derivation of necessary conditions on Hartree-Fock orbitals

1970 • 29 citations

Eine Approximation der Löwdinschen natürlichen Orbitale für Moleküle mit einer Green-Funktion-Methode

1972 • 13 citations