Please wait a minute...
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-Tian (孟庆田)a, 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      Revised:  28 February 2013      Accepted manuscript online: 
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 (孟庆田), A. J. C. Varandas Manifestation of external field effect in time-resolved photo-dissociation dynamics of LiF 2013 Chin. Phys. B 22 073303

[1] Rose T S, Rosker M J and Zewail A H 1988 J. Chem. Phys. 88 6672
[2] Cong P, Mokhtari A and Zewail A H 1990 Chem. Phys. Lett. 172 109
[3] Rosker M J, Rose T S and Zewail A H 1988 Chem. Phys. Lett. 146 175
[4] Alekseyev A B, Liebermann H P and Buerker R J 2000 J. Chem. Phys. 113 1514
[5] Feuerstein B and Thumm U 2003 Phys. Rev. A 67 043405
[6] Li X, Yang H and Ma R 2004 Chin. Phys. 13 1564
[7] Meng Q T, Yang G H, Sun H L, Han K L and Lou N Q 2003 Phys. Rev. A 67 063202
[8] Chen J X and Gong Q H 2005 Chin. Phys. 14 1960
[9] Yue D G, Zheng X Y, Liu H and Meng Q T 2009 Chin. Phys. B 18 1479
[10] Clark A P, Brouard M, Quadrini F and Vallance C 2006 Phys. Chem. Chem. Phys. 8 5591
[11] Su Q Z, Yu J, Yuan K J and Cong S L 2012 J. Theor. Comp. Chem. 11 709
[12] He H X, Lu R F, Zhang P Y, Han K L and He G Z 2012 J. Chem. Phys. 136 024311
[13] Cong S L, Wang S M and Yuan K J 2005 Chin. Phys. Lett. 22 2534
[14] Regan P M, Ascenzi D and Brown A 2000 J. Chem. Phys. 112 10259
[15] Waldeck J R, Shapiro M and Bersohn R 1993 J. Chem. Phys. 99 5924
[16] Martinez T J and Levine R D 1996 Chem. Phys. Lett. 259 252
[17] Peslherbe G H, Bianco R, Hynes J T and Ladanyi B M 1997 J. Chem. Soc. Faraday Trans. 93 977
[18] Baba M, Kokita T, Kasahara S and Kato H 1999 J. Chem. Phys. 111 9574
[19] Werner H J and Meyer W 1981 J. Chem. Phys. 74 5802
[20] Nakamura H and Truhlar D G 2002 J. Chem. Phys. 117 5576
[21] Chattopadhyay S, Chaudhuri R K and Mahapatra U S 2008 J. Chem. Phys. 129 244108
[22] Kahn L R, Hay P J and Shavitt I 1974 J. Chem. Phys. 61 3530
[23] Bandrauk A D and Gauthier J M 1989 J. Phys. Chem. 93 7552
[24] Bandrauk A D and Gauthier J M 1990 J. Opt. Soc. Am. B 7 1420
[25] Balakrishnan N, Esry B D and Sadeghpour H R 1999 Phys. Rev. A 60 1407
[26] Werner H J and Meyer W 1981 J. Chem. Phys. 74 5802
[27] Varandas A J C 2009 J. Chem. Phys. 131 124128
[28] Varandas A J C 2011 J. Chem. Phys. 135 119902
[29] Meng Q T, Liu X G, Zhang Q G and Han K L 2005 Chem. Phys. 316 93
[30] Feit M D, Fleck J A and Steiger A 1982 J. Comput. Phys. 47 412
[31] Light J C, Hamilton I P and Lill J V 1985 J. Chem. Phys. 82 1400
[32] Sharafeddin O and Zhang J Z H 1993 Chem. Phys. Lett. 204 190
[33] Wang J, Zhao J, Xu Y, Meng Q T and Liu W K 2010 Chin. Phys. B 19 123301
[34] Neuhasuer D and Baer M 1989 J. Chem. Phys. 90 4351
[35] Fererstein B and Thumm U 2003 J. Phys. B 36 707
[36] Trump C, Rottke H and Wittmann M 2000 Phys. Rev. A 62 063402
[37] Cornett S T, Sadeghpour H R and Cavagnero M J 1999 Phys. Rev. Lett. 82 2488
[38] Grado-Caffaro M A and Grado-Caffaro M 2010 App. Phys. B 99 753
[39] Shapiro M and Bony H 1985 J. Chem. Phys. 83 1588
[1] Non-adiabatic quantum dynamical studies of Na(3p)+HD(ν=1, j=0)→NaH/NaD+D/H reaction
Yue-Pei Wen(温月佩), Bayaer Buren(布仁巴雅尔), Mao-Du Chen(陈茂笃). Chin. Phys. B, 2019, 28(6): 063401.
[2] The effect of field modulation on the vibrational population of the photoassociated NaK and its dynamics
Yu Wang(王玉), Da-Guang Yue(岳大光), Xu-Cong Zhou(周旭聪), Ya-Hui Guo(郭雅慧), Qing-Tian Meng(孟庆田). Chin. Phys. B, 2017, 26(4): 043202.
[3] Time-dependent approach to the double-channel dissociation of the NaCs molecule induced by pulsed lasers
Zhang Cai-Xia (张彩霞), Niu Yu-Quan (牛余全), Meng Qing-Tian (孟庆田). Chin. Phys. B, 2014, 23(10): 103301.
[4] Theoretical simulation of the photoassociation process for NaCs
Zhang Chang-Zhe (张常哲), Zheng Bin (郑斌), Wang Jun (王军), Meng Qing-Tian (孟庆田). Chin. Phys. B, 2013, 22(2): 023401.
[5] Theoretical study of the influence of intense femtosecond laser field on the evolution of the wave packet and the population of NaRb molecule
Ma Ning(马宁), Wang Mei-Shan(王美山), Yang Chuan-Lu(杨传路), Ma Xiao-Guang(马晓光), and Wang De-Hua(王德华). Chin. Phys. B, 2010, 19(2): 023301.
[6] Influence of laser fields on the vibrational population of molecules and its wave-packet dynamical investigation
Wang Jun(王军), Liu Fang(刘芳), Yue Da-Guang(岳大光), Zhao Juan(赵娟), Xu Yan(许燕), Meng Qing-Tian(孟庆田), and Liu Wing-Ki. Chin. Phys. B, 2010, 19(12): 123301.
[7] Control of reaction channels of CsI molecule by ultra-short laser pulse
Xiong De-Lin(熊德林),Wang Mei-Shan(王美山), Yang Chuan-Lu(杨传路), Tong Xiao-Fei(童小菲), and Ma Ning(马宁). Chin. Phys. B, 2010, 19(10): 103303.
No Suggested Reading articles found!