SEARCH Articles Figures Tables Hartree restricted Hartree restricted open-shell Open shell Restricted open-shell Hartree-Fock Restricted open-shell Hartree-Fock spin contamination Restricted openings Spin-restricted Hartree-Fock Spin-restricted open-shell Hartree-Fock ROHF) Spin-restricted open-shell Hartree-Fock ROHF) orbitals Spin-restricted open-shell Hartree-Fock ROHF) reference functions Unrestricted Hartree-Fock restricted high-spin open-shell