Hits:

Indexed by:Journal Papers

Date of Publication:2015-12-01

Journal:JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY

Included Journals:SCIE、Scopus

Volume:14

Issue:8

ISSN No.:0219-6336

Key Words:Photoassociation; vibrational level; wavepacket

Abstract:This work explores the vibrational state-selective photoassociation (PA) in the ground state of the HX (X = F, Cl, I) molecule by solving the time-dependent Schrodinger equation. For the three systems, the vibrational level of nu = 17 is set to be the target state and the PA probability of the target state is calculated and compared by considering diffrerent initial collision momentums. It is found that the PA probabilities are in accordance with Franck-Condon overlap integral for the HI and HCl systems, but it is not the case for the HF system. Moreover, for the HF system, it is shown that the PA probability of the target state is largest and the multiphoton transition is more likely to occur.