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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.
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Keywords:
- non-adiabatic effects /
- NaI molecule /
- femtosecond pulse /
- time-dependent wave packet
[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]
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[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
[33] [34] Garraway B M, Suominen K A 1995 Rep. Prog. Phys. 58 365
[35] [36] Zewail A H 1988 Science 242 1645
[37] [38] [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
[45] [46] [47] Braun M, Meier C, Engel V 1996 J. Chem. Phys. 105 530
[48] [49] Charron E, Suzor-Weiner A 1998 J. Chem. Phys. 108 3922
[50] Marquetand P, Materny A, Engel V 2004 J. Chem. Phys. 120 5871
[51] [52] Grfe C, Engel V 2004 Chem. Phys. Lett. 385 60
[53] [54] [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] -
[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
[33] [34] Garraway B M, Suominen K A 1995 Rep. Prog. Phys. 58 365
[35] [36] Zewail A H 1988 Science 242 1645
[37] [38] [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
[45] [46] [47] Braun M, Meier C, Engel V 1996 J. Chem. Phys. 105 530
[48] [49] Charron E, Suzor-Weiner A 1998 J. Chem. Phys. 108 3922
[50] Marquetand P, Materny A, Engel V 2004 J. Chem. Phys. 120 5871
[51] [52] Grfe C, Engel V 2004 Chem. Phys. Lett. 385 60
[53] [54] [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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