Title
Sensitivity of time-dependent vibrational dynamics to curve-crossing topology Sensitivity of time-dependent vibrational dynamics to curve-crossing topology
Author
Faculty/Department
Faculty of Sciences. Mathematics and Computer Science
Publication type
article
Publication
New York, N.Y. ,
Subject
Mathematics
Physics
Chemistry
Source (journal)
International journal of quantum chemistry. - New York, N.Y.
Volume/pages
(1991) :S:25 , p. 141-153
ISSN
0020-7608
ISI
A1991GT39100014
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
The quantum time evolution in a two-state curve-crossing situation can be computed with the split operator FFT method. We present a version of that scheme that is based on the analytic exponentiation of two-by-two matrices. We use this approach to investigate the vibrational dynamics of the coupled b', c'1-SIGMA-u+ states of the N2 molecule. We focus our study on the sensitivity of time-dependent transition amplitudes to the features of the curve-crossing topology.
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