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Self-consistent field ground-state wave complexes

Predictions can be made about the suitability of different system trajectories on the basis of orbital symmetry conservation rules (207). The most suitable trajectory is an approximation to the reaction path of the reaction under study. The rules can also yield information about the possible structure of the activated complex. The correlation diagram technique has been improved in a series of books by Epiotis et al. (214-216). The method is based on self-consistent field-configuration interaction or valence bond (SCF-CI or VB) (including ionic structures) wave functions. Applications on reactions in the ground states as well as in the excited electronic states are impressive however, the price to be paid for the predictions seems to be rather high. [Pg.273]


See other pages where Self-consistent field ground-state wave complexes is mentioned: [Pg.133]    [Pg.120]    [Pg.91]    [Pg.107]    [Pg.245]    [Pg.203]    [Pg.91]    [Pg.231]    [Pg.2]    [Pg.277]   
See also in sourсe #XX -- [ Pg.156 , Pg.166 ]

See also in sourсe #XX -- [ Pg.156 , Pg.166 ]




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Complex self-consistent field

Field complex

Self complexes

Self-Consistent Field

Self-complexation

Self-consistent field , ground

Self-consisting fields

Wave fields

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