caa a22 4500 465807909 CHVBK 20180323112108.0 cr unu---uuuuu 170327e19900101xx s 000 0 eng 10.1007/BF00943881 doi (NATIONALLICENCE)springer-10.1007/BF00943881 Effect of configurational composition of the wave function on calculated dipole polarizability of molecules [Elektronische Daten] [Yu. Pedash, O. Shramko, V. Klimenko] On the basis of the π-electron approximation we have investigated the dependence of the calculated dipole polarizability of molecules on the configurational composition of the variational wave function. The values which were closest to the results of complex configurational interaction were obtained for sets including the single-determinant Hartree-Fock function and all the bonding doubly excited configurations constructed from the localized MO, and also from the complete set of singly and doubly excited configurations. Plenum Publishing Corporation, 1990 Pedash Yu Institute of Theoretical Physics of the Ukrainian SSR Academy of Sciences, University of Khar'kov, USSR aut Shramko O. Institute of Theoretical Physics of the Ukrainian SSR Academy of Sciences, University of Khar'kov, USSR aut Klimenko V. Institute of Theoretical Physics of the Ukrainian SSR Academy of Sciences, University of Khar'kov, USSR aut Theoretical and Experimental Chemistry Kluwer Academic Publishers-Plenum Publishers 26/1(1990-01-01), 63-65 0040-5760 26:1<63 1990 26 11237 https://doi.org/10.1007/BF00943881 text/html Onlinezugriff via DOI 1 brief-communication jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF00943881 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Pedash Yu Institute of Theoretical Physics of the Ukrainian SSR Academy of Sciences, University of Khar'kov, USSR aut NATIONALLICENCE 700 1- Shramko O. Institute of Theoretical Physics of the Ukrainian SSR Academy of Sciences, University of Khar'kov, USSR aut NATIONALLICENCE 700 1- Klimenko V. Institute of Theoretical Physics of the Ukrainian SSR Academy of Sciences, University of Khar'kov, USSR aut NATIONALLICENCE 773 0- Theoretical and Experimental Chemistry Kluwer Academic Publishers-Plenum Publishers 26/1(1990-01-01), 63-65 0040-5760 26:1<63 1990 26 11237 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer