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Sensitivity of time‐dependent vibrational dynamics to curve‐crossing topology
Author(s) -
Broeckhove J.,
Feyen B.,
Lathouwers L.
Publication year - 1991
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560400817
Subject(s) - sensitivity (control systems) , topology (electrical circuits) , fast fourier transform , exponentiation , physics , operator (biology) , statistical physics , mathematics , chemistry , algorithm , mathematical analysis , biochemistry , combinatorics , repressor , electronic engineering , transcription factor , engineering , gene
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 Σ u +states of the N 2 molecule. We focus our study on the sensitivity of time‐dependent transition amplitudes to the features of the curve‐crossing topology.