Configuration interactions with molecular orbitals from the SCF Xα scattered-wave approximation

A method has been devised for calculating the state energies and wave functions for molecules, with computer algorithms and implementation programs. Molecular integrals can be determined in an orbital basis by the X-SW method and can be used in programs based on nonempirical methods, which serve to extend the X. method. Estimates have been made of the state energies with correction for electron correlation for titanium and zirconium monofluorides.Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 26, No. 2, pp. 137–142, March–April, 1990.