Abstract
Self-consistent field equations are developed for non-orthogonal, localized molecular orbitals in the open-shell Hartree-Fock and multiconfiguration self-consistent field approximations. These orbitals are least distorted from the orbitals of atoms, ions, radicals, etc. The self-consistent solution of these equations is equivalent to solving the canonical Hartree-Fock or multiconfiguration self-consistent field equations.
Published Version
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have