Title | Comparison of positive flux operators for transition state theory using a solvable model |
Publication Type | Journal Article |
Year of Publication | 1996 |
Authors | Muga, JG, Delgado, V, Sala, R, Snider, RF |
Journal | Journal of Chemical Physics |
Volume | 104 |
Pagination | 7015-7026 |
Date Published | May |
Type of Article | Article |
ISBN Number | 0021-9606 |
Keywords | QUANTUM, RATE CONSTANTS |
Abstract | Several quantum operators representing ’’positive flux’’ are compared for the square barrier by examining their ability to reproduce the exact transmittance when traced with the exact microcanonical density operator. They are obtained by means of the ’’Weyl rule,’’ the ’’Rivier rule,’’ by symmetrizing the product of ’’flux’’ and ’’positive momentum projection’’ operators, acid by a variational technique. Explicit expressions are given for all cases. (C) 1996 American Institute of Physics. |
URL | <Go to ISI>://A1996UJ11400012 |