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Goscinski

In 1973161, Rinaldi and Rivail proposed an approach that combines the quantum-mechanical level of description of chemical molecules with the macroscopic concept of the reaction field. A similar approach was introduced by Tapia and Goscinski in 1975162. [Pg.109]

Tapia, O. and O. Goscinski. 1975. Self-consistent reaction field theory of solvent effects. Mol. Phys. 29, 1653. [Pg.128]

In most work reported so far, the solute is treated by the Hartree-Fock method (i.e., Ho is expressed as a Fock operator), in which each electron moves in the self-consistent field (SCF) of the others. The term SCRF, which should refer to the treatment of the reaction field, is used by some workers to refer to a combination of the SCRF nonlinear Schrodinger equation (34) and SCF method to solve it, but in the future, as correlated treatments of the solute becomes more common, it will be necessary to more clearly distinguish the SCRF and SCF approximations. The SCRF method, with or without the additional SCF approximation, was first proposed by Rinaldi and Rivail [87, 88], Yomosa [89, 90], and Tapia and Goscinski [91], A highly recommended review of the foundations of the field was given by Tapia [71],... [Pg.11]

The Onsager s reaction field theory [3] has been incorporated into MO calculations by Tapia and Goscinski [6], The model has been applied to different problems using either semiempirical [51] or ab-initio MO theory [52], or correlated ab-initio techniques [52],... [Pg.190]

Goscinski s treatment of the orthonormality relations of Sturmian basis sets [3] is easy to generalize and we can see by an argument analogous to equations (9) and (10) that when P ,... [Pg.27]

Goscinski, O., Preliminary Research Report No. 211, Quantum Chemistry Group, Uppsala University, (1968). [Pg.39]

D. R. Herschbach, J. Avery, and O. Goscinski, Dimensional Scaling in Chemical Physics, Kluwer, Dordrecht, 1993. [Pg.534]


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See also in sourсe #XX -- [ Pg.124 ]

See also in sourсe #XX -- [ Pg.5 , Pg.10 ]




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Goscinski, Osvaldo

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