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Journal of Chemical Physics

Volumn 135, Issue 14, 2011, Pages

Surface hopping with Ehrenfest excited potential

(3) Fischer, Sean A a Chapman, Craig T a Li, Xiaosong a

a UNIVERSITY OF WASHINGTON (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL SYSTEMS; EHRENFEST; EXPLICIT TREATMENTS; MEAN FIELD APPROXIMATION; MEAN-FIELD; MODEL PROBLEMS; QUANTUM CALCULATION; REACTION CHANNELS; SURFACE HOPPING; TIME EVOLUTIONS;

EXCITED STATES;

EID: 80054988936 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.3646920 Document Type: Article

Times cited : (48)

References (39)

1
- 43049181202
- 10.1080/00268976400100041
- A. D. McLachlan, Mol. Phys. 8, 39 (1964). 10.1080/00268976400100041
- (1964) Mol. Phys. , vol.8 , pp. 39
- McLachlan, A.D.¹

2
- 36049058509
- 10.1103/PhysRev.181.174
- P. Pechukas, Phys. Rev. 181, 174 (1969). 10.1103/PhysRev.181.174
- (1969) Phys. Rev. , vol.181 , pp. 174
- Pechukas, P.¹

3
- 2242440384
- 10.1063/1.1675788
- J. C. Tully and R. K. Preston, J. Chem. Phys. 55, 562 (1971). 10.1063/1.1675788
- (1971) J. Chem. Phys. , vol.55 , pp. 562
- Tully, J.C.¹ Preston, R.K.²

4
- 36749119622
- 10.1063/1.436463
- W. H. Miller and C. W. McCurdy, J. Chem. Phys. 69, 5163 (1978). 10.1063/1.436463
- (1978) J. Chem. Phys. , vol.69 , pp. 5163
- Miller, W.H.¹ McCurdy, C.W.²

5
- 0342657916
- 10.1063/1.437910
- H. D. Meyer and W. H. Miller, J. Chem. Phys. 70, 3214 (1979). 10.1063/1.437910
- (1979) J. Chem. Phys. , vol.70 , pp. 3214
- Meyer, H.D.¹ Miller, W.H.²

6
- 36749113388
- 10.1063/1.442382
- E. J. Heller, J. Chem. Phys. 75, 2923 (1981). 10.1063/1.442382
- (1981) J. Chem. Phys. , vol.75 , pp. 2923
- Heller, E.J.¹

7
- 36749120380
- 10.1063/1.444753
- D. A. Micha, J. Chem. Phys. 78, 7138 (1983). 10.1063/1.444753
- (1983) J. Chem. Phys. , vol.78 , pp. 7138
- Micha, D.A.¹

8
- 0000327653
- 10.1103/PhysRevA.50.322
- D. A. Micha and K. Runge, Phys. Rev. A 50, 322 (1994). 10.1103/PhysRevA.50.322
- (1994) Phys. Rev. A , vol.50 , pp. 322
- Micha, D.A.¹ Runge, K.²

9
- 0000939177
- 10.1021/jp9906839
- D. A. Micha, J. Phys. Chem. A 103, 7562 (1999). 10.1021/jp9906839
- (1999) J. Phys. Chem. A , vol.103 , pp. 7562
- Micha, D.A.¹

10
- 13044304431
- 10.1063/1.459170
- J. C. Tully, J. Chem. Phys. 93, 1061 (1990). 10.1063/1.459170
- (1990) J. Chem. Phys. , vol.93 , pp. 1061
- Tully, J.C.¹

11
- 0026103656
- 10.1016/0010-4655(91)90272-M
- F. Webster, P. J. Rossky, and R. A. Friesner, Comput. Phys. Commun. 63, 494 (1991). 10.1016/0010-4655(91)90272-M
- (1991) Comput. Phys. Commun. , vol.63 , pp. 494
- Webster, F.¹ Rossky, P.J.² Friesner, R.A.³

12
- 0031095742
- 10.1063/1.473541
- C. C. Martens and J. Y. Fang, J. Chem. Phys. 106, 4918 (1997). 10.1063/1.473541
- (1997) J. Chem. Phys. , vol.106 , pp. 4918
- Martens, C.C.¹ Fang, J.Y.²

13
- 0003081433
- 10.1103/PhysRevLett.78.578
- G. Stock and M. Thoss, Phys. Rev. Lett. 78, 578 (1997). 10.1103/PhysRevLett.78.578
- (1997) Phys. Rev. Lett. , vol.78 , pp. 578
- Stock, G.¹ Thoss, M.²

14
- 0000374824
- 10.1063/1.480178
- O. V. Prezhdo, J. Chem. Phys. 111, 8366 (1999). 10.1063/1.480178
- (1999) J. Chem. Phys. , vol.111 , pp. 8366
- Prezhdo, O.V.¹

15
- 0001385642
- 10.1063/1.478811
- R. Kapral and G. Ciccotti, J. Chem. Phys. 110, 8919 (1999). 10.1063/1.478811
- (1999) J. Chem. Phys. , vol.110 , pp. 8919
- Kapral, R.¹ Ciccotti, G.²

16
- 0033737606
- 10.1021/jp994174i
- M. Ben-Nun, J. Quenneville, and T. J. Martinez, J. Phys. Chem. A 104, 5161 (2000). 10.1021/jp994174i
- (2000) J. Phys. Chem. A , vol.104 , pp. 5161
- Ben-Nun, M.¹ Quenneville, J.² Martinez, T.J.³

17
- 26444583429
- Ab initio Ehrenfest dynamics
- DOI 10.1063/1.2008258, 084106
- X. Li, J. C. Tully, H. B. Schlegel, and M. J. Frisch, J. Chem. Phys. 123, 084106 (2005). 10.1063/1.2008258 (Pubitemid 41417644)
- (2005) Journal of Chemical Physics , vol.123 , Issue.8 , pp. 1-7
- Li, X.¹ Tully, J.C.² Schlegel, H.B.³ Frisch, M.J.⁴

18
- 63849333727
- 10.1021/jp809907p
- W. H. Miller, J. Phys. Chem. A 113, 1405 (2009). 10.1021/jp809907p
- (2009) J. Phys. Chem. A , vol.113 , pp. 1405
- Miller, W.H.¹

19
- 36449001803
- 10.1063/1.469428
- D. F. Coker and L. Xiao, J. Chem. Phys. 102, 496 (1995). 10.1063/1.469428
- (1995) J. Chem. Phys. , vol.102 , pp. 496
- Coker, D.F.¹ Xiao, L.²

20
- 36449001385
- 10.1063/1.470177
- E. R. Bittner and P. J. Rossky, J. Chem. Phys. 103, 8130 (1995). 10.1063/1.470177
- (1995) J. Chem. Phys. , vol.103 , pp. 8130
- Bittner, E.R.¹ Rossky, P.J.²

21
- 0034318668
- Quantum wave packet dynamics with trajectories: Implementation with adaptive Lagrangian grids
- DOI 10.1063/1.1319988
- R. E. Wyatt and E. R. Bittner, J. Chem. Phys. 113, 8898 (2000). 10.1063/1.1319988 (Pubitemid 32033355)
- (2000) Journal of Chemical Physics , vol.113 , Issue.20 , pp. 8898-8907
- Wyatt, R.E.¹ Bittner, E.R.²

22
- 29244452328
- Mean-field dynamics with stochastic decoherence (MF-SD): A new algorithm for nonadiabatic mixed quantum/classical molecular-dynamics simulations with nuclear-induced decoherence
- DOI 10.1063/1.2131056, 234106
- M. J. Bedard-Hearn, R. E. Larsen, and B. J. Schwartz, J. Chem. Phys. 123, 234106 (2005). 10.1063/1.2131056 (Pubitemid 41828971)
- (2005) Journal of Chemical Physics , vol.123 , Issue.23 , pp. 1-17
- Bedard-Hearn, M.J.¹ Larsen, R.E.² Schwartz, B.J.³

23
- 79954609539
- 10.1063/1.3575588
- N. Shenvi, J. E. Subotnik, and W. Yang, J. Chem. Phys. 134, 144102 (2011). 10.1063/1.3575588
- (2011) J. Chem. Phys. , vol.134 , pp. 144102
- Shenvi, N.¹ Subotnik, J.E.² Yang, W.³

24
- 78751506139
- 10.1063/1.3506779
- J. E. Subotnik and N. Shenvi, J. Chem. Phys. 134, 024105 (2011). 10.1063/1.3506779
- (2011) J. Chem. Phys. , vol.134 , pp. 024105
- Subotnik, J.E.¹ Shenvi, N.²

25
- 36749114316
- 10.1063/1.444225
- R. B. Gerber, V. Buch, and M. A. Ratner, J. Chem. Phys. 77, 3022 (1982). 10.1063/1.444225
- (1982) J. Chem. Phys. , vol.77 , pp. 3022
- Gerber, R.B.¹ Buch, V.² Ratner, M.A.³

26
- 2742590512
- 10.1039/a801824c
- J. C. Tully, Faraday Discuss. 110, 407 (1998). 10.1039/a801824c
- (1998) Faraday Discuss. , vol.110 , pp. 407
- Tully, J.C.¹

27
- 36449004316
- 10.1063/1.459920
- B. Space and D. F. Coker, J. Chem. Phys. 94, 1976 (1991). 10.1063/1.459920
- (1991) J. Chem. Phys. , vol.94 , pp. 1976
- Space, B.¹ Coker, D.F.²

28
- 0000593564
- 10.1063/1.462449
- B. Space and D. F. Coker, J. Chem. Phys. 96, 652 (1992). 10.1063/1.462449
- (1992) J. Chem. Phys. , vol.96 , pp. 652
- Space, B.¹ Coker, D.F.²

29
- 36449005418
- 10.1063/1.467455
- S. Hammes-Schiffer and J. C. Tully, J. Chem. Phys. 101, 4657 (1994). 10.1063/1.467455
- (1994) J. Chem. Phys. , vol.101 , pp. 4657
- Hammes-Schiffer, S.¹ Tully, J.C.²

30
- 4243168870
- 10.1021/j100016a011
- S. Hammes-Schiffer and J. C. Tully, J. Chem. Phys. 99, 5793 (1995). 10.1021/j100016a011
- (1995) J. Chem. Phys. , vol.99 , pp. 5793
- Hammes-Schiffer, S.¹ Tully, J.C.²

31
- 0347855782
- 10.1063/1.474382
- O. V. Prezhdo and P. J. Rossky, J. Chem. Phys. 107, 825 (1997). 10.1063/1.474382
- (1997) J. Chem. Phys. , vol.107 , pp. 825
- Prezhdo, O.V.¹ Rossky, P.J.²

32
- 0000689893
- A generalized surface hopping method
- DOI 10.1063/1.477416, PII S0021960698003420
- D. S. Sholl and J. C. Tully, J. Chem. Phys. 109, 7702 (1998). 10.1063/1.477416 (Pubitemid 128678341)
- (1998) Journal of Chemical Physics , vol.109 , Issue.18 , pp. 7702-7710
- Sholl, D.S.¹ Tully, J.C.²

33
- 0001082365
- 10.1063/1.474288
- U. Mller and G. Stock, J. Chem. Phys. 107, 6230 (1997). 10.1063/1.474288
- (1997) J. Chem. Phys. , vol.107 , pp. 6230
- Mller, U.¹ Stock, G.²

34
- 0001680760
- 10.1021/ja9725763
- T. Vreven, F. Bernardi, M. Garavelli, M. Olivucci, M. A. Robb, and H. B. Schlegel, J. Am. Chem. Soc. 119, 12687 (1997). 10.1021/ja9725763
- (1997) J. Am. Chem. Soc. , vol.119 , pp. 12687
- Vreven, T.¹ Bernardi, F.² Garavelli, M.³ Olivucci, M.⁴ Robb, M.A.⁵ Schlegel, H.B.⁶

35
- 28844431580
- Trajectory surface hopping in the time-dependent kohn-sham approach for electron-nuclear dynamics
- DOI 10.1103/PhysRevLett.95.163001, 163001
- C. F. Craig, W. R. Duncan, and O. V. Prezhdo, Phys. Rev. Lett. 95, 163001 (2005). 10.1103/PhysRevLett.95.163001 (Pubitemid 41777420)
- (2005) Physical Review Letters , vol.95 , Issue.16 , pp. 1-4
- Craig, C.F.¹ Duncan, W.R.² Prezhdo, O.V.³

36
- 33846392653
- Trajectory surface hopping within linear response time-dependent density-functional theory
- DOI 10.1103/PhysRevLett.98.023001
- E. Tapavicza, I. Tavernelli, and U. Rothlisberger, Phys. Rev. Lett. 98, 023001 (2007). 10.1103/PhysRevLett.98.023001 (Pubitemid 46135203)
- (2007) Physical Review Letters , vol.98 , Issue.2 , pp. 023001
- Tapavicza, E.¹ Tavernelli, I.² Rothlisberger, U.³

37
- 0002352225
- Model studies of nonadiabatic dynamics
- DOI 10.1063/1.477083, PII S0021960698524361
- D. Kohen, F. H. Stillinger, and J. C. Tully, J. Chem. Phys. 109, 4713 (1998). 10.1063/1.477083 (Pubitemid 128672121)
- (1998) Journal of Chemical Physics , vol.109 , Issue.12 , pp. 4713-4725
- Kohen, D.¹ Stillinger, F.H.² Tully, J.C.³

38
- 70449441093
- 10.1126/science.1179240
- N. Shenvi, S. Roy, and J. C. Tully, Science 326, 829 (2009). 10.1126/science.1179240
- (2009) Science , vol.326 , pp. 829
- Shenvi, N.¹ Roy, S.² Tully, J.C.³

39
- 65549098164
- 10.1063/1.3125436
- N. Shenvi, S. Roy, and J. C. Tully, J. Chem. Phys. 130, 174107 (2009). 10.1063/1.3125436
- (2009) J. Chem. Phys. , vol.130 , pp. 174107
- Shenvi, N.¹ Roy, S.² Tully, J.C.³

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