SCOPUS 정보 검색 플랫폼

Volumn 132, Issue 24, 2010, Pages

Non-Born-Oppenheimer quantum chemistry on the fly with continuous path branching due to nonadiabatic and intense optical interactions

(2) Yonehara, Takehiro a Takatsuka, Kazuo a

a UNIVERSITY OF TOKYO (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; ELECTROMAGNETIC FIELDS; LASER OPTICS; MOLECULES; QUANTUM CHEMISTRY; WAVE PACKETS;

ATTOSECOND TIME SCALE; ELECTRON WAVE PACKET; GAUSSIAN WAVEPACKETS; NON-ADIABATIC COUPLING; NON-ADIABATIC DYNAMICS; NON-ADIABATIC TRANSITIONS; NON-BORN OPPENHEIMER; OPTICAL INTERACTIONS;

DYNAMICS;

EID: 77954185193 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.3439396 Document Type: Article

Times cited : (32)

References (58)

1
- 2342488822
- CHREAY 0009-2665,. 10.1021/cr020683w
- A. Stolow, A. E. Bragg, and D. N. Neumark, Chem. Rev. (Washington, D.C.) CHREAY 0009-2665 104, 1719 (2004). 10.1021/cr020683w
- (2004) Chem. Rev. (Washington, D.C.) , vol.104 , pp. 1719
- Stolow, A.¹ Bragg, A.E.² Neumark, D.N.³

2
- 85018617447
- (World Scientific, Singapore)
- S. H. Lin, A. A. Villaeys, and Y. Fujimura, Advances in Multi-Photon Processes and Spectroscopy (World Scientific, Singapore, 2004).
- (2004) Advances in Multi-Photon Processes and Spectroscopy
- Lin, S.H.¹ Villaeys, A.A.² Fujimura, Y.³

3
- 0000548175
- JCPSA6 0021-9606 10.1063/1.479343
- P. Farmanara, H. H. Ritze, V. Stert, W. Radloff, and I. V. Hertel, J. Chem. Phys. JCPSA6 0021-9606 111, 633 (1999) 10.1063/1.479343
- (1999) J. Chem. Phys. , vol.111 , pp. 633
- Farmanara, P.¹ Ritze, H.H.² Stert, V.³ Radloff, W.⁴ Hertel, I.V.⁵

4
- 0035396250
- Control of the fragmentation of excited ammonia clusters by femtosecond infrared laser pulses
- DOI 10.1063/1.1377889
- P. Farmanara, H. H. Ritze, V. Stert, W. Radloff, and I. V. Hertel, J. Chem. Phys. JCPSA6 0021-9606 115, 277 (2001) 10.1063/1.1377889 (Pubitemid 32639820)
- (2001) Journal of Chemical Physics , vol.115 , Issue.1 , pp. 277-284
- Farmanara, P.¹ Stert, V.² Ritze, H.-H.³ Radloff, W.⁴ Hertel, I.V.⁵

5
- 0037154407
- Ultrafast photodissociation dynamics and energetics of the electronically excited H atom transfer state of the ammonia dimer and trimer
- DOI 10.1063/1.1429952
- P. Farmanara, H. H. Ritze, V. Stert, W. Radloff, and I. V. Hertel, J. Chem. Phys. JCPSA6 0021-9606 116, 1443 (2002). 10.1063/1.1429952 (Pubitemid 34130004)
- (2002) Journal of Chemical Physics , vol.116 , Issue.4 , pp. 1443-1456
- Farmanara, P.¹ Ritze, H.-H.² Stert, V.³ Radloff, W.⁴ Hertel, I.V.⁵

6
- 33746632661
- Ultrafast dynamics in isolated molecules and molecular clusters
- DOI 10.1088/0034-4885/69/6/R06, PII S0034488506792454, R06
- I. V. Hertel and W. Radloff, Rep. Prog. Phys. RPPHAG 0034-4885 69, 1897 (2006). 10.1088/0034-4885/69/6/R06 (Pubitemid 44143810)
- (2006) Reports on Progress in Physics , vol.69 , Issue.6 , pp. 1897-2003
- Hertel, I.V.¹ Radloff, W.²

7
- 36449007821
- JCPSA6 0021-9606,. 10.1063/1.461816
- M. Seel and W. Domcke, J. Chem. Phys. JCPSA6 0021-9606 95, 7806 (1991). 10.1063/1.461816
- (1991) J. Chem. Phys. , vol.95 , pp. 7806
- Seel, M.¹ Domcke, W.²

8
- 0041309507
- PRLTAO 0031-9007 10.1103/PhysRevLett.90.248303
- Y. Arasaki, K. Takatsuka, K. Wang, and V. McKoy, Phys. Rev. Lett. PRLTAO 0031-9007 90, 248303 (2003) 10.1103/PhysRevLett.90.248303
- (2003) Phys. Rev. Lett. , vol.90 , pp. 248303
- Arasaki, Y.¹ Takatsuka, K.² Wang, K.³ McKoy, V.⁴

9
- 0041309507
- JCPSA6 0021-9606
- Y. Arasaki, K. Takatsuka, K. Wang, and V. McKoy, J. Chem. Phys. JCPSA6 0021-9606 90, 248303 (2003)
- (2003) J. Chem. Phys. , vol.90 , pp. 248303
- Arasaki, Y.¹ Takatsuka, K.² Wang, K.³ McKoy, V.⁴

10
- 0242384212
- JCPSA6 0021-9606 10.1063/1.1609397
- Y. Arasaki, K. Takatsuka, K. Wang, and V. McKoy, J. Chem. Phys. JCPSA6 0021-9606 119, 7913 (2003). 10.1063/1.1609397
- (2003) J. Chem. Phys. , vol.119 , pp. 7913
- Arasaki, Y.¹ Takatsuka, K.² Wang, K.³ McKoy, V.⁴

11
- 77953205831
- ADCPAA 0065-2385,. 10.1002/9780470564318.ch2
- K. Takatsuka and T. Yonehara, Adv. Chem. Phys. ADCPAA 0065-2385 144, 93 (2009). 10.1002/9780470564318.ch2
- (2009) Adv. Chem. Phys. , vol.144 , pp. 93
- Takatsuka, K.¹ Yonehara, T.²

12
- 67249123775
- (Academic, London);, (Clarendon, Oxford, 1991)
- M. S. Child, Molecular Collision Theory (Academic, London, 1974); M. S. Child, Semiclassical Mechanics with Molecular Approximations (Clarendon, Oxford, 1991).
- (1974) Molecular Collision Theory, Semiclassical Mechanics with Molecular Approximations
- Child, M.S.¹ Child, M.S.²

13
- 0004141621
- (World Scientific, New Jersey). 10.1142/9789812778406
- H. Nakamura, Nonadiabatic Transition (World Scientific, New Jersey, 2002). 10.1142/9789812778406
- (2002) Nonadiabatic Transition
- Nakamura, H.¹

14
- 1042299925
- edited by X. Yang and K. Liu (World Scientific, Singapore), Cha
- A. Jasper, B. K. Kendrick, C. A. Mead, and D. G. Truhlar, in Modern Trends in Chemical Reaction Dynamics Part I, edited by, X. Yang, and, K. Liu, (World Scientific, Singapore, 2004), Chap..
- (2004) Modern Trends in Chemical Reaction Dynamics Part i
- Jasper, A.¹ Kendrick, B.K.² Mead, C.A.³ Truhlar, D.G.⁴

15
- 0042290834
- (World Scientific, New Jersey)
- W. Domcke, D. R. Yarkony, and H. Köppel, Conical Intersections: Electronic Structure, Dynamics and Spectroscopy (World Scientific, New Jersey, 2004).
- (2004) Conical Intersections: Electronic Structure, Dynamics and Spectroscopy
- Domcke, W.¹ Yarkony, D.R.² Köppel, H.³

16
- 32544458965
- ADCPAA 0065-2385,. 10.1002/0471739464.ch5
- G. Stock and M. Thoss, Adv. Chem. Phys. ADCPAA 0065-2385 131, 243 (2005). 10.1002/0471739464.ch5
- (2005) Adv. Chem. Phys. , vol.131 , pp. 243
- Stock, G.¹ Thoss, M.²

17
- 84889281077
- (Wiley, Hoboken). 10.1002/0471780081
- M. Baer, Beyond Born-Oppenheimer (Wiley, Hoboken, 2006). 10.1002/0471780081
- (2006) Beyond Born-Oppenheimer
- Baer, M.¹

18
- 0002636472
- PHZSAL 0369-9811
- L. D. Landau, Phys. Z. Sowjetunion PHZSAL 0369-9811 2, 46 (1932).
- (1932) Phys. Z. Sowjetunion , vol.2 , pp. 46
- Landau, L.D.¹

19
- 0001332554
- PRLAAZ 0950-1207,. 10.1098/rspa.1932.0165
- C. Zener, Proc. R. Soc. London, Ser. A PRLAAZ 0950-1207 137, 696 (1932). 10.1098/rspa.1932.0165
- (1932) Proc. R. Soc. London, Ser. A , vol.137 , pp. 696
- Zener, C.¹

20
- 0000535681
- HPACAK 0018-0238
- E. C. G. Stueckelberg, Helv. Phys. Acta HPACAK 0018-0238 5, 369 (1932).
- (1932) Helv. Phys. Acta , vol.5 , pp. 369
- Stueckelberg, E.C.G.¹

21
- 36449006479
- JCPSA6 0021-9606,. 10.1063/1.469057
- C. Zhu and H. Nakamura, J. Chem. Phys. JCPSA6 0021-9606 102, 7448 (1995). 10.1063/1.469057
- (1995) J. Chem. Phys. , vol.102 , pp. 7448
- Zhu, C.¹ Nakamura, H.²

22
- 0006314756
- JCPSA6 0021-9606,. 10.1063/1.473364
- C. Zhu and H. Nakamura, J. Chem. Phys. JCPSA6 0021-9606 106, 2599 (1997). 10.1063/1.473364
- (1997) J. Chem. Phys. , vol.106 , pp. 2599
- Zhu, C.¹ Nakamura, H.²

23
- 2242440384
- JCPSA6 0021-9606,. 10.1063/1.1675788
- J. C. Tully and R. Preston, J. Chem. Phys. JCPSA6 0021-9606 55, 562 (1971). 10.1063/1.1675788
- (1971) J. Chem. Phys. , vol.55 , pp. 562
- Tully, J.C.¹ Preston, R.²

24
- 13044304431
- JCPSA6 0021-9606,. 10.1063/1.459170
- J. C. Tully, J. Chem. Phys. JCPSA6 0021-9606 93, 1061 (1990). 10.1063/1.459170
- (1990) J. Chem. Phys. , vol.93 , pp. 1061
- Tully, J.C.¹

25
- 0010930905
- JPCHAX 0022-3654,. 10.1021/jp953105a
- T. J. Martínez, M. Ben-Nun, and R. D. Levine, J. Phys. Chem. JPCHAX 0022-3654 100, 7884 (1996). 10.1021/jp953105a
- (1996) J. Phys. Chem. , vol.100 , pp. 7884
- Martínez, T.J.¹ Ben-Nun, M.² Levine, R.D.³

26
- 0031553028
- JPCHAX 0022-3654
- T. J. Martínez, M. Ben-Nun, and R. D. Levine, J. Phys. Chem. JPCHAX 0022-3654 101, 6389 (1997).
- (1997) J. Phys. Chem. , vol.101 , pp. 6389
- Martínez, T.J.¹ Ben-Nun, M.² Levine, R.D.³

27
- 0035878990
- Comparison of full multiple spawning, trajectory surface hopping, and converged quantum mechanics for electronically nonadiabatic dynamics
- DOI 10.1063/1.1377030
- M. D. Hack, A. M. Wensman, D. Truhlar, M. Ben-Nun, and T. J. Martínez, J. Chem. Phys. JCPSA6 0021-9606 115, 1172 (2001). 10.1063/1.1377030 (Pubitemid 32699305)
- (2001) Journal of Chemical Physics , vol.115 , Issue.3 , pp. 1172-1186
- Hack, M.D.¹ Wensmann, A.M.² Truhlar, D.G.³ Ben-Nun, M.⁴ Martinez, T.J.⁵

28
- 33644984990
- ACHRE4 0001-4842,. 10.1021/ar040202q
- T. J. Martínez, Acc. Chem. Res. ACHRE4 0001-4842 39, 119 (2006). 10.1021/ar040202q
- (2006) Acc. Chem. Res. , vol.39 , pp. 119
- Martínez, T.J.¹

29
- 65249085122
- JPCBFK 1089-5647,. 10.1021/jp8073464
- A. M. Virshup, C. Punwong, T. V. Pogorelov, B. A. Lindquist, C. Ko, and T. J. Martínez, J. Phys. Chem. B JPCBFK 1089-5647 113, 3280 (2009). 10.1021/jp8073464
- (2009) J. Phys. Chem. B , vol.113 , pp. 3280
- Virshup, A.M.¹ Punwong, C.² Pogorelov, T.V.³ Lindquist, B.A.⁴ Ko, C.⁵ Martínez, T.J.⁶

30
- 64549084952
- JCPSA6 0021-9606,. 10.1063/1.3103930
- S. Yang, J. D. Coe, B. Kaduk, and T. Martínez, J. Chem. Phys. JCPSA6 0021-9606 130, 134113 (2009). 10.1063/1.3103930
- (2009) J. Chem. Phys. , vol.130 , pp. 134113
- Yang, S.¹ Coe, J.D.² Kaduk, B.³ Martínez, T.⁴

31
- 0342657916
- JCPSA6 0021-9606,. 10.1063/1.437910
- H.-D. Meyer and W. H. Miller, J. Chem. Phys. JCPSA6 0021-9606 70, 3214 (1979). 10.1063/1.437910
- (1979) J. Chem. Phys. , vol.70 , pp. 3214
- Meyer, H.-D.¹ Miller, W.H.²

32
- 22944469748
- Quantum fluctuation of electronic wave-packet dynamics coupled with classical nuclear motions
- DOI 10.1063/1.1854115, 084113
- M. Amano and K. Takatsuka, J. Chem. Phys. JCPSA6 0021-9606 122, 084113 (2005). 10.1063/1.1854115 (Pubitemid 41047455)
- (2005) Journal of Chemical Physics , vol.122 , Issue.8 , pp. 1-13
- Amano, M.¹ Takatsuka, K.²

33
- 0035505150
- Photodissociation of LiFH and NaFH van der Waals complexes: A semiclassical trajectory study
- DOI 10.1063/1.1407278
- A. W. Jasper, M. D. Hack, A. Chakradorty, D. G. Truhlar, and P. Piecuch, J. Chem. Phys. JCPSA6 0021-9606 115, 7945 (2001). 10.1063/1.1407278 (Pubitemid 33080504)
- (2001) Journal of Chemical Physics , vol.115 , Issue.17 , pp. 7945-7952
- Jasper, A.W.¹ Hack, M.D.² Chakraborty, A.³ Truhlar, D.G.⁴ Piecuch, P.⁵

34
- 8444240480
- JCPSA6 0021-9606,. 10.1063/1.1793991
- C. Zhu, S. Nangia, A. W. Jasper, and D. G. Truhlar, J. Chem. Phys. JCPSA6 0021-9606 121, 7658 (2004). 10.1063/1.1793991
- (2004) J. Chem. Phys. , vol.121 , pp. 7658
- Zhu, C.¹ Nangia, S.² Jasper, A.W.³ Truhlar, D.G.⁴

35
- 1942535102
- JCPSA6 0021-9606,. 10.1063/1.1648306
- C. Zhu, A. W. Jasper, and D. G. Truhlar, J. Chem. Phys. JCPSA6 0021-9606 120, 5543 (2004). 10.1063/1.1648306
- (2004) J. Chem. Phys. , vol.120 , pp. 5543
- Zhu, C.¹ Jasper, A.W.² Truhlar, D.G.³

36
- 0041361416
- JCPSA6 0021-9606,. 10.1063/1.473624
- X. Sun and W. H. Miller, J. Chem. Phys. JCPSA6 0021-9606 106, 6346 (1997). 10.1063/1.473624
- (1997) J. Chem. Phys. , vol.106 , pp. 6346
- Sun, X.¹ Miller, W.H.²

37
- 34548381802
- Semiclassical description of electronically nonadiabatic dynamics via the initial value representation
- DOI 10.1063/1.2759932
- N. Ananth, C. Venkataraman, and W. H. Miller, J. Chem. Phys. JCPSA6 0021-9606 127, 084114 (2007). 10.1063/1.2759932 (Pubitemid 47352509)
- (2007) Journal of Chemical Physics , vol.127 , Issue.8 , pp. 084114
- Ananth, N.¹ Venkataraman, C.² Miller, W.H.³

38
- 36049001789
- Generalization of classical mechanics for nuclear motions on nonadiabatically coupled potential energy surfaces in chemical reactions
- DOI 10.1021/jp072233j
- K. Takatsuka, J. Phys. Chem. A JPCAFH 1089-5639 111, 10196 (2007). 10.1021/jp072233j (Pubitemid 350080195)
- (2007) Journal of Physical Chemistry A , vol.111 , Issue.41 , pp. 10196-10204
- Takatsuka, K.¹

39
- 53449083306
- JCPSA6 0021-9606,. 10.1063/1.2987302
- T. Yonehara and K. Takatsuka, J. Chem. Phys. JCPSA6 0021-9606 129, 134109 (2008). 10.1063/1.2987302
- (2008) J. Chem. Phys. , vol.129 , pp. 134109
- Yonehara, T.¹ Takatsuka, K.²

40
- 4244122100
- PRLTAO 0031-9007 10.1103/PhysRevLett.78.1404
- K. Takatsuka and A. Inoue, Phys. Rev. Lett. PRLTAO 0031-9007 78, 1404 (1997) 10.1103/PhysRevLett.78.1404
- (1997) Phys. Rev. Lett. , vol.78 , pp. 1404
- Takatsuka, K.¹ Inoue, A.²

41
- 0001337135
- PLRAAN 1050-2947 10.1103/PhysRevA.59.3256
- A. Inoue-Ushiyama and K. Takatsuka, Phys. Rev. A PLRAAN 1050-2947 59, 3256 (1999). 10.1103/PhysRevA.59.3256
- (1999) Phys. Rev. A , vol.59 , pp. 3256
- Inoue-Ushiyama, A.¹ Takatsuka, K.²

42
- 67249155373
- IJQCB2 0020-7608,. 10.1002/qua.22077
- K. Takatsuka, Int. J. Quantum Chem. IJQCB2 0020-7608 109, 2131 (2009). 10.1002/qua.22077
- (2009) Int. J. Quantum Chem. , vol.109 , pp. 2131
- Takatsuka, K.¹

43
- 67249143886
- JCPSA6 0021-9606,. 10.1063/1.3151684
- T. Yonehara, S. Takahashi, and K. Takatsuka, J. Chem. Phys. JCPSA6 0021-9606 130, 214113 (2009). 10.1063/1.3151684
- (2009) J. Chem. Phys. , vol.130 , pp. 214113
- Yonehara, T.¹ Takahashi, S.² Takatsuka, K.³

44
- 70549111192
- CMPHC2 0301-0104,. 10.1016/j.chemphys.2009.09.001
- T. Yonehara and K. Takatsuka, Chem. Phys. CMPHC2 0301-0104 366, 115 (2009). 10.1016/j.chemphys.2009.09.001
- (2009) Chem. Phys. , vol.366 , pp. 115
- Yonehara, T.¹ Takatsuka, K.²

45
- 0003496090
- (Oxford University Press, Oxford)
- M. Born and K. Huang, Dynamical Theory of Crystal Lattices (Oxford University Press, Oxford, 1954).
- (1954) Dynamical Theory of Crystal Lattices
- Born, M.¹ Huang, K.²

46
- 32644488149
- Non-Born-Oppenheimer path in anti-Hermitian dynamics for nonadiabatic transitions
- DOI 10.1063/1.2167648
- K. Takatsuka, J. Chem. Phys. JCPSA6 0021-9606 124, 064111 (2006). 10.1063/1.2167648 (Pubitemid 43248014)
- (2006) Journal of Chemical Physics , vol.124 , Issue.6 , pp. 064111
- Takatsuka, K.¹

47
- 42449138820
- Nonadiabatic electron wavepacket dynamics of molecules in an intense optical field: An ab initio electronic state study
- DOI 10.1063/1.2904867
- T. Yonehara and K. Takatsuka, J. Chem. Phys. JCPSA6 0021-9606 128, 154104 (2008). 10.1063/1.2904867 (Pubitemid 351574607)
- (2008) Journal of Chemical Physics , vol.128 , Issue.15 , pp. 154104
- Yonehara, T.¹ Takatsuka, K.²

48
- 33748067017
- PRVAAH 0096-8250,. 10.1103/PhysRev.115.485
- Y. Aharonov and D. Bohm, Phys. Rev. PRVAAH 0096-8250 115, 485 (1959). 10.1103/PhysRev.115.485
- (1959) Phys. Rev. , vol.115 , pp. 485
- Aharonov, Y.¹ Bohm, D.²

49
- 0002532117
- DFSOAW 0014-7664,. 10.1039/df9633500077
- G. Herzberg and H. C. Longuet-Higgins, Discuss. Faraday Soc. DFSOAW 0014-7664 35, 77 (1963). 10.1039/df9633500077
- (1963) Discuss. Faraday Soc. , vol.35 , pp. 77
- Herzberg, G.¹ Longuet-Higgins, H.C.²

50
- 0002207807
- PRSLAZ 0370-1662
- M. V. Berry, Proc. R. Soc. London PRSLAZ 0370-1662 A392, 45 (1984).
- (1984) Proc. R. Soc. London , vol.392 , pp. 45
- Berry, M.V.¹

51
- 77954186544
- S. Takahashi and K. Takatsuka (unpublished)
- S. Takahashi and K. Takatsuka (unpublished).

52
- 0001005075
- PYLAAG 0375-9601,. 10.1016/0375-9601(90)90092-3
- H. Yoshida, Phys. Lett. A PYLAAG 0375-9601 150, 262 (1990). 10.1016/0375-9601(90)90092-3
- (1990) Phys. Lett. A , vol.150 , pp. 262
- Yoshida, H.¹

53
- 0242510121
- JCPSA6 0021-9606,. 10.1063/1.448136
- H. Tal-Ezer and R. Kosloff, J. Chem. Phys. JCPSA6 0021-9606 81, 3967 (1984). 10.1063/1.448136
- (1984) J. Chem. Phys. , vol.81 , pp. 3967
- Tal-Ezer, H.¹ Kosloff, R.²

54
- 0040532910
- JCPSA6 0021-9606,. 10.1063/1.462100
- D. T. Colbert and W. H. Miller, J. Chem. Phys. JCPSA6 0021-9606 96, 1982 (1992). 10.1063/1.462100
- (1992) J. Chem. Phys. , vol.96 , pp. 1982
- Colbert, D.T.¹ Miller, W.H.²

55
- 34548202482
- PRVAAH 0096-8250,. 10.1103/PhysRev.51.652
- I. I. Rabi, Phys. Rev. PRVAAH 0096-8250 51, 652 (1937). 10.1103/PhysRev.51.652
- (1937) Phys. Rev. , vol.51 , pp. 652
- Rabi, I.I.¹

56
- 33747615553
- H. -J. Werner, P. J. Knowles, R. D. Amos, MOLPRO, version 2006.1, a package of ab initio programs.
- MOLPRO, version 2006.1, a package of ab initio programs
- Werner, H.-J.¹ Knowles, P.J.² Amos, R.D.³

57
- 36549092593
- JCPSA6 0021-9606,. 10.1063/1.448669
- I. Last and M. Baer, J. Chem. Phys. JCPSA6 0021-9606 82, 4954 (1985). 10.1063/1.448669
- (1985) J. Chem. Phys. , vol.82 , pp. 4954
- Last, I.¹ Baer, M.²

58
- 33644987937
- PRPLCM 0370-1573,. 10.1016/j.physre2006.01.002
- Y. I. Salamin, S. X. Hu, Z. Hatsagortsyan, and C. H. Keitel, Phys. Rep. PRPLCM 0370-1573 427, 41 (2006). 10.1016/j.physrep.2006.01.002
- (2006) Phys. Rep. , vol.427 , pp. 41
- Salamin, Y.I.¹ Hu, S.X.² Hatsagortsyan, Z.³ Keitel, C.H.⁴

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