COMPARISON OF POSITIVE FLUX OPERATORS FOR TRANSITION-STATE THEORY USING A SOLVABLE MODEL

Citation
Jg. Muga et al., COMPARISON OF POSITIVE FLUX OPERATORS FOR TRANSITION-STATE THEORY USING A SOLVABLE MODEL, The Journal of chemical physics, 104(18), 1996, pp. 7015-7026
Citations number
35
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
104
Issue
18
Year of publication
1996
Pages
7015 - 7026
Database
ISI
SICI code
0021-9606(1996)104:18<7015:COPFOF>2.0.ZU;2-J
Abstract
Several quantum operators representing ''positive flux'' are compared for the square barrier by examining their ability to reproduce the exa ct transmittance when traced with the exact microcanonical density ope rator. They are obtained by means of the ''Weyl rule,'' the ''Rivier r ule,'' by symmetrizing the product of ''flux'' and ''positive momentum projection'' operators, acid by a variational technique. Explicit exp ressions are given for all cases. (C) 1996 American Institute of Physi cs.