caa a22 4500 465808387 CHVBK 20180323112109.0 cr unu---uuuuu 170327e19900301xx s 000 0 eng 10.1007/BF01160491 doi (NATIONALLICENCE)springer-10.1007/BF01160491 Configuration interactions with molecular orbitals from the SCF Xα scattered-wave approximation [Elektronische Daten] [V. Polyakov, I. Topol'] 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 Xα-SW method and can be used in programs based on nonempirical methods, which serve to extend the Xα. method. Estimates have been made of the state energies with correction for electron correlation for titanium and zirconium monofluorides. Plenum Publishing Corporation, 1990 Polyakov V. Kurnakov Institute for General and Inorganic Chemistry, USSR Academy of Sciences, USSR aut Topol' I. Kurnakov Institute for General and Inorganic Chemistry, USSR Academy of Sciences, USSR aut Theoretical and Experimental Chemistry Kluwer Academic Publishers 26/2(1990-03-01), 125-129 0040-5760 26:2<125 1990 26 11237 https://doi.org/10.1007/BF01160491 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF01160491 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Polyakov V. Kurnakov Institute for General and Inorganic Chemistry, USSR Academy of Sciences, USSR aut NATIONALLICENCE 700 1- Topol' I. Kurnakov Institute for General and Inorganic Chemistry, USSR Academy of Sciences, USSR aut NATIONALLICENCE 773 0- Theoretical and Experimental Chemistry Kluwer Academic Publishers 26/2(1990-03-01), 125-129 0040-5760 26:2<125 1990 26 11237 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer