Efficient computation of transition state resonances and reaction rates from a quantum normal form

RCV Schubert, H Waalkens, S Wiggins

Research output: Contribution to journalArticle (Academic Journal)peer-review

31 Citations (Scopus)

Abstract

A quantum version of a recent formulation of transition state theory in {\em phase space} is presented. The theory developed provides an algorithm to compute quantum reaction rates and the associated Gamov-Siegert resonances with very high accuracy. The algorithm is especially efficient for multi-degree-of-freedom systems where other approaches are no longer feasible
Translated title of the contributionEfficient computation of transition state resonances and reaction rates from a quantum normal form
Original languageEnglish
Article numberArt No 218302
Pages (from-to)1 - 4
Number of pages4
JournalPhysical Review Letters
Volume96 (21)
DOIs
Publication statusPublished - Jun 2006

Bibliographical note

Publisher: American Physical Society
Other identifier: IDS Umber 049GK

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