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论文类型：期刊论文

发表时间：2015-12-01

发表刊物：JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY

收录刊物：SCIE、Scopus

卷号：14

期号：8

ISSN号：0219-6336

关键字：Photoassociation; vibrational level; wavepacket

摘要：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.