-
2
-
-
0007832413
-
Quantum molecular dynamics using Wigner representation
-
edited by B. J. Berne, G. Ciccotti, and D. Coker World Scientific, Singapore
-
V. S. Filinov, S. Bonella, Y. L. Lozovik, A. V. Filinov and I. Zacharov, "Quantum molecular dynamics using Wigner representation," in Classical and Quantum Dynamics in Condensed Phase Simulations, edited by B. J. Berne, G. Ciccotti, and D. Coker (World Scientific, Singapore, 1998).
-
(1998)
Classical and Quantum Dynamics in Condensed Phase Simulations
-
-
Filinov, V.S.1
Bonella, S.2
Lozovik, Y.L.3
Filinov, A.V.4
Zacharov, I.5
-
4
-
-
13044304431
-
-
J. C. Tully, J. Chem. Phys. 93, 1061 (1990); J. C. Tully, Int. J. Quantum Chem. 25, 299 (1991); S. Hammes-Schiffer and J. C. Tully, J. Chem. Phys. 101, 4657 (1994).
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 1061
-
-
Tully, J.C.1
-
5
-
-
84987084487
-
-
J. C. Tully, J. Chem. Phys. 93, 1061 (1990); J. C. Tully, Int. J. Quantum Chem. 25, 299 (1991); S. Hammes-Schiffer and J. C. Tully, J. Chem. Phys. 101, 4657 (1994).
-
(1991)
Int. J. Quantum Chem.
, vol.25
, pp. 299
-
-
Tully, J.C.1
-
6
-
-
36449005418
-
-
J. C. Tully, J. Chem. Phys. 93, 1061 (1990); J. C. Tully, Int. J. Quantum Chem. 25, 299 (1991); S. Hammes-Schiffer and J. C. Tully, J. Chem. Phys. 101, 4657 (1994).
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 4657
-
-
Hammes-Schiffer, S.1
Tully, J.C.2
-
8
-
-
0026103656
-
-
F. Webster, P. J. Rossky, and R. A. Friesner, Comput. Phys. Commun. 63, 494 (1991); F. J. Webster, J. Schnitker, M. S. Friedrichs, R. A. Friesner, and P. J. Rossky, Phys. Rev. Lett. 66, 3172 (1991).
-
(1991)
Comput. Phys. Commun.
, vol.63
, pp. 494
-
-
Webster, F.1
Rossky, P.J.2
Friesner, R.A.3
-
9
-
-
4243952742
-
-
F. Webster, P. J. Rossky, and R. A. Friesner, Comput. Phys. Commun. 63, 494 (1991); F. J. Webster, J. Schnitker, M. S. Friedrichs, R. A. Friesner, and P. J. Rossky, Phys. Rev. Lett. 66, 3172 (1991).
-
(1991)
Phys. Rev. Lett.
, vol.66
, pp. 3172
-
-
Webster, F.J.1
Schnitker, J.2
Friedrichs, M.S.3
Friesner, R.A.4
Rossky, P.J.5
-
12
-
-
0041361416
-
-
X. Sun and W. H. Miller, J. Chem. Phys. 106, 916 (1997); 106, 6346 (1997).
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 6346
-
-
-
15
-
-
0004018836
-
-
edited by W. L. Hase Jai, London
-
For a review of quasi-classical trajectory methods, see Advances in Classical Trajectory Methods, edited by W. L. Hase (Jai, London, 1992), Vol. 1.
-
(1992)
Advances in Classical Trajectory Methods
, vol.1
-
-
-
16
-
-
36449001479
-
-
W. H. Miller, J. Chem. Phys. 95, 9428 (1991); E. J. Heller, ibid. 94, 2723 (1991); E. J. Heller, ibid. 94, 9431 (1991); G. Stock and M. Thoss, Phys. Rev. Lett. 78, 578 (1997); M. F. Herman and E. Kluk, Chem. Phys. 91, 27 (1984); K. G. Kay, J. Chem. Phys. 100, 4377 (1994); 100, 4432 (1994).
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 9428
-
-
Miller, W.H.1
-
17
-
-
36449008373
-
-
W. H. Miller, J. Chem. Phys. 95, 9428 (1991); E. J. Heller, ibid. 94, 2723 (1991); E. J. Heller, ibid. 94, 9431 (1991); G. Stock and M. Thoss, Phys. Rev. Lett. 78, 578 (1997); M. F. Herman and E. Kluk, Chem. Phys. 91, 27 (1984); K. G. Kay, J. Chem. Phys. 100, 4377 (1994); 100, 4432 (1994).
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 2723
-
-
Heller, E.J.1
-
18
-
-
36449006934
-
-
W. H. Miller, J. Chem. Phys. 95, 9428 (1991); E. J. Heller, ibid. 94, 2723 (1991); E. J. Heller, ibid. 94, 9431 (1991); G. Stock and M. Thoss, Phys. Rev. Lett. 78, 578 (1997); M. F. Herman and E. Kluk, Chem. Phys. 91, 27 (1984); K. G. Kay, J. Chem. Phys. 100, 4377 (1994); 100, 4432 (1994).
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 9431
-
-
Heller, E.J.1
-
19
-
-
0003081433
-
-
W. H. Miller, J. Chem. Phys. 95, 9428 (1991); E. J. Heller, ibid. 94, 2723 (1991); E. J. Heller, ibid. 94, 9431 (1991); G. Stock and M. Thoss, Phys. Rev. Lett. 78, 578 (1997); M. F. Herman and E. Kluk, Chem. Phys. 91, 27 (1984); K. G. Kay, J. Chem. Phys. 100, 4377 (1994); 100, 4432 (1994).
-
(1997)
Phys. Rev. Lett.
, vol.78
, pp. 578
-
-
Stock, G.1
Thoss, M.2
-
20
-
-
4243938937
-
-
W. H. Miller, J. Chem. Phys. 95, 9428 (1991); E. J. Heller, ibid. 94, 2723 (1991); E. J. Heller, ibid. 94, 9431 (1991); G. Stock and M. Thoss, Phys. Rev. Lett. 78, 578 (1997); M. F. Herman and E. Kluk, Chem. Phys. 91, 27 (1984); K. G. Kay, J. Chem. Phys. 100, 4377 (1994); 100, 4432 (1994).
-
(1984)
Chem. Phys.
, vol.91
, pp. 27
-
-
Herman, M.F.1
Kluk, E.2
-
21
-
-
36449004965
-
-
W. H. Miller, J. Chem. Phys. 95, 9428 (1991); E. J. Heller, ibid. 94, 2723 (1991); E. J. Heller, ibid. 94, 9431 (1991); G. Stock and M. Thoss, Phys. Rev. Lett. 78, 578 (1997); M. F. Herman and E. Kluk, Chem. Phys. 91, 27 (1984); K. G. Kay, J. Chem. Phys. 100, 4377 (1994); 100, 4432 (1994).
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 4377
-
-
Kay, K.G.1
-
22
-
-
36449009820
-
-
W. H. Miller, J. Chem. Phys. 95, 9428 (1991); E. J. Heller, ibid. 94, 2723 (1991); E. J. Heller, ibid. 94, 9431 (1991); G. Stock and M. Thoss, Phys. Rev. Lett. 78, 578 (1997); M. F. Herman and E. Kluk, Chem. Phys. 91, 27 (1984); K. G. Kay, J. Chem. Phys. 100, 4377 (1994); 100, 4432 (1994).
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 4432
-
-
-
26
-
-
0000431067
-
-
cl and their sum must generate contractive semi-groups on the Banach space on which they act. In Hilbert space, this requires the spectrum of all 3 operators be purely imaginary tor time reversible dynamics. For a discussion of the Trotter product formula applied to physics, see E. Nelson, J. Math. Phys. 5, 332 (1964).
-
(1964)
J. Math. Phys.
, vol.5
, pp. 332
-
-
Nelson, E.1
-
28
-
-
36149032570
-
-
D. Frenkel, G. C. A. Mooij, and B. Smit, J. Phys. Condens. Matter 4, 3053 (1991); J. I. Siepmann and D. Frenkel, Mol. Phys. 75, 59 (1992).
-
(1991)
J. Phys. Condens. Matter
, vol.4
, pp. 3053
-
-
Frenkel, D.1
Mooij, G.C.A.2
Smit, B.3
-
29
-
-
78650612270
-
-
D. Frenkel, G. C. A. Mooij, and B. Smit, J. Phys. Condens. Matter 4, 3053 (1991); J. I. Siepmann and D. Frenkel, Mol. Phys. 75, 59 (1992).
-
(1992)
Mol. Phys.
, vol.75
, pp. 59
-
-
Siepmann, J.I.1
Frenkel, D.2
-
33
-
-
0346400157
-
-
M. Ben-Nun and T. J. Martínez, J. Chem. Phys. 108, 7244 (1998); T. J. Martínez, M. Ben-Nun, and R. D. Levine, J. Phys. Chem. 100, 7884 (1996); T. J. Martínez, and R. D. Levine, J. Chem. Soc., Faraday Trans. 93, 940 (1997); T. J. Martínez, M. Ben-Nun, and R. D. Levine, J. Phys. Chem. 101, 6389 (1997).
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 7244
-
-
Ben-Nun, M.1
Martínez, T.J.2
-
34
-
-
0010930905
-
-
M. Ben-Nun and T. J. Martínez, J. Chem. Phys. 108, 7244 (1998); T. J. Martínez, M. Ben-Nun, and R. D. Levine, J. Phys. Chem. 100, 7884 (1996); T. J. Martínez, and R. D. Levine, J. Chem. Soc., Faraday Trans. 93, 940 (1997); T. J. Martínez, M. Ben-Nun, and R. D. Levine, J. Phys. Chem. 101, 6389 (1997).
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 7884
-
-
Martínez, T.J.1
Ben-Nun, M.2
Levine, R.D.3
-
35
-
-
0346400157
-
-
M. Ben-Nun and T. J. Martínez, J. Chem. Phys. 108, 7244 (1998); T. J. Martínez, M. Ben-Nun, and R. D. Levine, J. Phys. Chem. 100, 7884 (1996); T. J. Martínez, and R. D. Levine, J. Chem. Soc., Faraday Trans. 93, 940 (1997); T. J. Martínez, M. Ben-Nun, and R. D. Levine, J. Phys. Chem. 101, 6389 (1997).
-
(1997)
J. Chem. Soc., Faraday Trans.
, vol.93
, pp. 940
-
-
Martínez, T.J.1
Levine, R.D.2
-
36
-
-
0031553028
-
-
M. Ben-Nun and T. J. Martínez, J. Chem. Phys. 108, 7244 (1998); T. J. Martínez, M. Ben-Nun, and R. D. Levine, J. Phys. Chem. 100, 7884 (1996); T. J. Martínez, and R. D. Levine, J. Chem. Soc., Faraday Trans. 93, 940 (1997); T. J. Martínez, M. Ben-Nun, and R. D. Levine, J. Phys. Chem. 101, 6389 (1997).
-
(1997)
J. Phys. Chem.
, vol.101
, pp. 6389
-
-
Martínez, T.J.1
Ben-Nun, M.2
Levine, R.D.3
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