Photo-dissociation dynamics of a diatomic molecule: modelling of thermal and environmental effects

Citation
Ck. Mondal et al., Photo-dissociation dynamics of a diatomic molecule: modelling of thermal and environmental effects, CHEM P LETT, 311(5), 1999, pp. 400-406
Citations number
14
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
311
Issue
5
Year of publication
1999
Pages
400 - 406
Database
ISI
SICI code
0009-2614(19991001)311:5<400:PDOADM>2.0.ZU;2-J
Abstract
The quantum dynamics of photodissociation of a diatomic molecule interactin g with ultrashort infrared laser pulses and modelled by an appropriate Mors e oscillator with either a fixed or fluctuating well-depth is explored at n on-zero temperatures by assuming an initial state vector consistent with th e distribution of vibrational population at a given temperature. The time-d ependent Schrodinger equation is solved by the time-dependent Fourier grid Hamiltonian method. The computed dissociation rate constant k(T) at a given intensity and frequency, of the driving field passes through a maximum at an intermediate temperature. if the well-depth of the Morse oscillator fluc tuates randomly, mimicking medium-induced perturbations, k(T) shows a stron g suppression at specific values of the fluctuation frequency and strength. (C) 1999 Elsevier Science B.V. All rights reserved.