Manifestation of external field effect in time-resolved photo-dissociation dynamics of LiF

doi:10.1088/1674-1056/22/7/073303

中国物理B ›› 2013, Vol. 22 ›› Issue (7): 73303-073303.doi: 10.1088/1674-1056/22/7/073303

• ATOMIC AND MOLECULAR PHYSICS • 上一篇下一篇

Manifestation of external field effect in time-resolved photo-dissociation dynamics of LiF

孟庆田^a, A. J. C. Varandas^b

a Department of Physics, Institute of Physics and Electronics, Shandong Normal University, Jinan 250014, China;
b Departamento de Quimica, Universidade de Coimbra, 3004-535 Coimbra, Portugal

收稿日期:2013-02-01 修回日期:2013-02-28 出版日期:2013-06-01 发布日期:2013-06-01
基金资助:
Project supported by the International Cooperation Program for Excellent Lectures of 2008 by Shandong Provincial Education Department, China, the National Natural Science Foundation of China (Grant No. 11074151), and Fundacão para a Ciência e a Tecnologia, Portugal.

Manifestation of external field effect in time-resolved photo-dissociation dynamics of LiF

Meng Qing-Tian (孟庆田)^a, A. J. C. Varandas^b

a Department of Physics, Institute of Physics and Electronics, Shandong Normal University, Jinan 250014, China;
b Departamento de Quimica, Universidade de Coimbra, 3004-535 Coimbra, Portugal

Received:2013-02-01 Revised:2013-02-28 Online:2013-06-01 Published:2013-06-01
Contact: Meng Qing-Tian E-mail:qtmeng@sdnu.edu.cn
Supported by:
Project supported by the International Cooperation Program for Excellent Lectures of 2008 by Shandong Provincial Education Department, China, the National Natural Science Foundation of China (Grant No. 11074151), and Fundacão para a Ciência e a Tecnologia, Portugal.

摘要/Abstract

摘要： The photo-dissociation dynamics of LiF is investigated with newly constructed accurate ab initio potential energy curves (PECs) using the time-dependent quantum wave packet method. The oscillations and decay of the wave packet on the adiabats as a function of time are given, which can be compared with the femtosecond transition-state (FTS) spectroscopy. The photo-absorption spectra and the kinetic-energy distribution of the dissociation fragments, which can exhibit the vibration-level structure and the dispersion of the wave packet, respectively, are also obtained. The investigation shows a blue shift of the band center for the photo-absorption spectrum and multiple peaks in the kinetic-energy spectrum with increasing laser intensity, which can be attributed to external field effects. By analyzing the oscillations of the wave packet evolving on the upper adiabat, an approximate inversion scheme is devised to roughly deduce its shape.

关键词: photo-dissociation dynamics, time-dependent wave packet method, photo-absorption spectra, external field effect

Abstract: The photo-dissociation dynamics of LiF is investigated with newly constructed accurate ab initio potential energy curves (PECs) using the time-dependent quantum wave packet method. The oscillations and decay of the wave packet on the adiabats as a function of time are given, which can be compared with the femtosecond transition-state (FTS) spectroscopy. The photo-absorption spectra and the kinetic-energy distribution of the dissociation fragments, which can exhibit the vibration-level structure and the dispersion of the wave packet, respectively, are also obtained. The investigation shows a blue shift of the band center for the photo-absorption spectrum and multiple peaks in the kinetic-energy spectrum with increasing laser intensity, which can be attributed to external field effects. By analyzing the oscillations of the wave packet evolving on the upper adiabat, an approximate inversion scheme is devised to roughly deduce its shape.

Key words: photo-dissociation dynamics, time-dependent wave packet method, photo-absorption spectra, external field effect

中图分类号: (Diffuse spectra; predissociation, photodissociation)

33.80.Gj

87.15.ag (Quantum calculations)

孟庆田, A. J. C. Varandas. Manifestation of external field effect in time-resolved photo-dissociation dynamics of LiF[J]. 中国物理B, 2013, 22(7): 73303-073303.

Meng Qing-Tian (孟庆田), A. J. C. Varandas. Manifestation of external field effect in time-resolved photo-dissociation dynamics of LiF[J]. Chin. Phys. B, 2013, 22(7): 73303-073303.

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Manifestation of external field effect in time-resolved photo-dissociation dynamics of LiF

Manifestation of external field effect in time-resolved photo-dissociation dynamics of LiF

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