A SIMPLE MATRIX MODEL OF INTRAMOLECULAR VIBRATIONAL REDISTRIBUTION AND ITS IMPLICATIONS

Authors
BIGWOOD R GRUEBELE M
Citation
R. Bigwood et M. Gruebele, A SIMPLE MATRIX MODEL OF INTRAMOLECULAR VIBRATIONAL REDISTRIBUTION AND ITS IMPLICATIONS, Chemical physics letters, 235(5-6), 1995, pp. 604-613
Citations number
34
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
235
Issue
5-6
Year of publication
1995
Pages
604 - 613
Database
ISI
SICI code
0009-2614(1995)235:5-6<604:ASMMOI>2.0.ZU;2-K
Abstract
A multiple-range local matrix model for IVR is applied to systems with up to 100000 active states. Applications include calculation of IVR t ransients and high-resolution spectra of molecular models for vibratio nally excited 1-propyne and trihalomethanes. The model bridges recent statistical theories and detailed quantum simulations on specific syst ems, and several different IVR regimes can be qualitatively distinguis hed. In many cases, characteristic deviations from exponential decay b ehavior and/or the Golden Rule are observed.