NaI分子的非绝热效应

姚洪斌; 郑雨军

doi:10.7498/aps.60.128201

摘要

利用含时波包法研究了NaI分子在飞秒脉冲激光作用下的动力学演化情况.由于受非绝热效应的影响,波包运动到势能面的交叉区域时发生分裂.研究表明:非绝热效应引起的波包分裂是分子解离的根源,而且随着演化时间的增加非绝热效应变得越来越明显.同时,分别采用量子力学和经典力学理论探讨了NaI分子在非绝热过程中的演化规律以及解离概率随脉冲波长的变化关系.

关键词:

We investigate the dynamic evolution of wave packet under the coupled diabatic potentials via employing the time-dependent wave packet approach. The wave packet splits in the crossing region due to the influence of non-adiabatic effects. In our studies, it is found that the non-adiabatic effects are very important to the dissociation of NaI molecule, and it becomes markedly with the increase of evolutionary time. Moreover, our study shows that the mean packet position 〈R(t)〉 and the classical trajectory R(t) are nearly coincident and the dissociation probability is dependent on the laser wavelength.

Keywords:

作者及机构信息

姚洪斌^1,2,
郑雨军¹

1.
山东大学物理学院,济南 250100;

2.
新疆工业高等专科学校基础部,乌鲁木齐 830091

基金项目: 国家自然科学基金(批准号:10674083,10874102)资助的课题.

Authors and contacts

Yao Hong-Bin^1,2,
Zheng Yu-Jun¹

1.
School of Physics, Shandong University, Jinan 250100, China;

2.
Department of Basic Courses, Xinjiang Polytechnical College, Urumqi 830091, China

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施引文献

[1]	Wyatt R E, Zhang H 1996 Dynamics of Molecules and Chemical Reactions (New York: Marcel Dekker)
[2]	Nakamura H 1991 Int. Rev. Phys. Chem. 10 123
[3]
[4]	Chu T, Han K 2008 Phys. Chem. Chem. Phys. 10 2431
[5]
[6]	Yan B, Pan S P, Wang Z G, Yu J H 2006 Acta Phys. Sin. 55 1736 (in Chinese) [闫冰、潘守甫、王志刚、于俊华 2006 55 1736]
[7]
[8]
[9]	Felker P M, Zewail A H 1984 Phys. Rev. Lett. 53 501
[10]	Jasper W A, Zhu C, Nangia S, Truhlar D G 2004 Faraday Discuss. 127 1
[11]
[12]	Tully J C 2004 Faraday Discuss. 127 463
[13]
[14]
[15]	Xu H F, Liu S L, Ma X X, Dai D X, Xie J C, Sha G H 2002 Acta Phys. Sin. 51 240 (in Chinese) [徐海峰、刘世林、马兴孝、戴东旭、解金春、沙国河 2002 51 240]
[16]	Xu H F, Li Q F, Zhou X G, Dai J H, Liu S L, Ma X X 2004 Acta Phys. Sin. 53 1759 (in Chinese) [徐海峰、李奇峰、周晓国、戴静华、刘世林、马兴孝 2004 53 1759]
[17]
[18]
[19]	Teranishi Y, Nakamura H 1998 Phys. Rev. Lett. 81 2032
[20]
[21]	Chu T, Zhang Y, Han K 2006 Int. Rev. Phys. Chem. 25 201
[22]
[23]	Hoffmann M R, Schatz G C 2000 J. Chem. Phys. 113 9456
[24]	Kuppermann A, Abrol R 2002 Adv. Chem. Phys. 124 283
[25]
[26]	Maiti B, Schatz G C 2003 J. Chem. Phys. 119 12360
[27]
[28]	Xu G L, Xia Y Z, Liu X F, Zhang X Z, Liu Y F 2010 Acta Phys. Sin. 59 7762 (in Chinese) [徐国亮、夏要争、刘雪峰、张现周、刘玉芳 2010 59 7762]
[29]
[30]
[31]	Ma N, Wang M S, Yang C L, Ma X G, Wang D H 2010 Chin. Phys. B 19 023301
[32]	Xiong D L, Wang M S, Yang C L, Tong X F, Ma N 2010 Chin. Phys. B 19 103303
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[34]	Garraway B M, Suominen K A 1995 Rep. Prog. Phys. 58 365
[35]
[36]	Zewail A H 1988 Science 242 1645
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[39]	Rose T S, Rosker M J, Zewail A H 1988 J. Chem. Phys. 88 6672
[40]	Jouvet C, Martrenchard S, Solgadi D, Dedonder-Lardeux C 1997 J. Phys. Chem. A 101 2555
[41]
[42]	Cong P, Roberts G, Herek J L, Mohktari A, Zewail A H 1996 J. Phys. Chem. 100 7832
[43]
[44]	Grgoire G, Mons M, Dimicoli I, Piuzzi F, Charron E, Dedonder-Lardeux C, Jouvet C, Martrenchard S, Solgadi D, Suzor-Weiner A 1998 Eur. Phys. J. D 1 187
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[46]
[47]	Braun M, Meier C, Engel V 1996 J. Chem. Phys. 105 530
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[50]	Marquetand P, Materny A, Engel V 2004 J. Chem. Phys. 120 5871
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[52]	Grfe C, Engel V 2004 Chem. Phys. Lett. 385 60
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[55]	Marquetand P, Meier C, Engel V 2005 J. Chem. Phys. 123 204320
[56]	Marquetand P, Engel V 2005 Chem. Phys. Lett. 407 471
[57]
[58]
[59]	Miao X, Wang L, Song H 2007 Phys. Rev. A 75 042512
[60]	Yao H B, Zheng Y J 2011 Phys. Chem. Chem. Phys. 13 8900
[61]
[62]
[63]	Meng Q, Yang G, Sun H, Han K, Lou N 2003 Phys. Rev. A 67 063202
[64]
[65]	Hu J, Han K, He G 2005 Phys. Rev. Lett. 95 123001
[66]
[67]	Zhang H, Han K, Zhan Y, He G, Lou N 1997 Chem. Phys. Lett. 271 204
[68]
[69]	Xie T, Zhao Y, Zhan M, Han K 2003 Phys. Chem. Chem. Phys. 5 2034
[70]	Meier C, Engel V 1994 Phys. Rev. Lett. 73 3207
[71]
[72]
[73]	Sun Z, Lou N 2003 Phys. Rev. Lett. 91 023002
[74]
[75]	Rose T S, Rosker M J, Zewail A H 1989 J. Chem. Phys. 91 7415
[76]	Zhu C, Teranishi Y, Nakamura H 2001 Adv. Chem. Phys. 117 127
[77]

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