Release Time:2019-03-09  Hits:

Indexed by: Journal Article

Date of Publication: 2014-11-01

Journal: JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY

Included Journals: Scopus、SCIE

Volume: 13

Issue: 7

ISSN: 0219-6336

Key Words: Multiphoton transition; population transfer; vibrational states; HF

Abstract: The population transfer process between the vibrational levels of the HF molecule is investigated by solving the time-dependent Schrodinger equation. The two vibrational levels of v = 0 and 2 are set to be the initial and target states (an overtone transition). The transition processes under the one-and two-photon resonance conditions are considered, respectively. The influences of the laser intensity, frequency and pulse duration on population transfer are explored. It is found that the one-photon transition process is adiabatic, while the two-photon transition process is diabatic. Other vibrational levels, such as V = 1 and 3, may participate into the twophoton transition process. Compared to the one-photon transition, a much longer pulse duration is required for the two-photon transition to achieve a high population-transfer efficiency, and the two-photon transition is more sensitive to the laser intensity. Almost a complete population transfer can be achieved for the two-photon resonance case, when the intensity is over 0.0091 a. u. with the appropriate duration (1180 fs) and frequency (0.017674 a. u.).