An algebraic method for solving Hartree-Fock-Roothaan equations
L. A. C. Malbouisson, JDM Vianna · Journal de Chimie Physique · 1990
A mathematical method for studying of Hartree - Fock equations in LCAO approximation is presented. The method provides Hartree - Fock - Roothaan solutions for any occupancy scheme and does not use ordering rules of the usual iterative self-consistent procedures. Equations and applications for closed-shell configuration are considered explicitly.