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Chin. Phys. B, 2013, Vol. 22(7): 073303    DOI: 10.1088/1674-1056/22/7/073303

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

Meng Qing-Tiana, A. J. C. Varandasb
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
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.
Keywords:  photo-dissociation dynamics      time-dependent wave packet method      photo-absorption spectra      external field effect     
Received:  01 February 2013      Published:  01 June 2013
PACS:  33.80.Gj (Diffuse spectra; predissociation, photodissociation) (Quantum calculations)  
Fund: 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.
Corresponding Authors:  Meng Qing-Tian     E-mail:

Cite this article: 

Meng Qing-Tian, A. J. C. Varandas Manifestation of external field effect in time-resolved photo-dissociation dynamics of LiF 2013 Chin. Phys. B 22 073303

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