PHOTODISSOCIATION AND PREDISSOCIATION PROCESSES IN OH - A TIME-DEPENDENT QUANTUM-MECHANICAL STUDY

Citation
C. Kalyanaraman et N. Sathyamurthy, PHOTODISSOCIATION AND PREDISSOCIATION PROCESSES IN OH - A TIME-DEPENDENT QUANTUM-MECHANICAL STUDY, Chemical physics, 187(1-2), 1994, pp. 219-226
Citations number
50
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
03010104
Volume
187
Issue
1-2
Year of publication
1994
Pages
219 - 226
Database
ISI
SICI code
0301-0104(1994)187:1-2<219:PAPPIO>2.0.ZU;2-A
Abstract
Photodissociation from the ground vibrational and ground electronic st ate (X2PI) and spin-orbit induced predissociation from the A 2SIGMA+ s tate of OH have been studied using the time-dependent quantum mechanic al approach. Photodissociation cross sections computed thus are in acc ord with the time-independent quantal results and are comparable to th e experimental results. Predissociation linewidths (GAMMA) computed us ing the wavepacket golden rule treatment corresponding to upsilon' = 1 -7 of A 2SIGMA+ state are also in agreement with most of the earlier t heoretical results. For upsilon' = 1-3, there is a general agreement b etween experiment and theory but for upsilon' = 4, the difference is s ubstantial. For upsilon' = 5-7, there are no experimental results avai lable. The results obtained from our calculations indicate that the in clusion of R-dependence of the spin-orbit coupling plays an important role in deciding the upsilon' dependence of GAMMA.