-
1
-
-
68349119574
-
-
This article is part of a Special Issue dedicated to Professor
-
This article is part of a Special Issue dedicated to Professor T. Ziegler.
-
-
-
Ziegler, T.1
-
2
-
-
68349116530
-
-
Other forms of quantum correlation functions are useful in applications. These include symmetrized and Kubo transformed forms. Since relations exist among these correlation functions,3 we restrict our considerations to this expression
-
Other forms of quantum correlation functions are useful in applications. These include symmetrized and Kubo transformed forms. Since relations exist among these correlation functions,3 we restrict our considerations to this expression.
-
-
-
-
3
-
-
33847327575
-
-
doi: 10.1088/0034-4885/29/1/306
-
Kubo, R. Rep. Prog. Phys. 1966, 29, 255. doi:10.1088/0034-4885/29/1/306.
-
(1966)
Rep. Prog. Phys.
, vol.29
, pp. 255
-
-
Kubo, R.1
-
4
-
-
33646737290
-
-
doi:10.1146/annurev.physchem.57.032905.104702. PMID:16599807
-
Kapral, R.Annu. Rev. Phys. Chem. 2006, 57, 129. doi: 10.1146/annurev. physchem.57.032905.104702. PMID: 16599807.
-
(2006)
Annu. Rev. Phys. Chem.
, vol.57
, pp. 129
-
-
Kapral, R.1
-
6
-
-
68349108422
-
-
Burghardt, I., Bittner, E., May, V., Micha, D. Eds.; Springer: NY. In press
-
Grunwald, R.; Kelly, A.; Kapral, R. In Energy transfer dynanties in biomaterial systems: Series in chemical physics; Burghardt, I., Bittner, E., May, V., Micha, D. Eds.; Springer: NY. In press.
-
Energy Transfer Dynanties in Biomaterial Systems: Series in Chemical Physics
-
-
Grunwald, R.1
Kelly, A.2
Kapral, R.3
-
7
-
-
0141890170
-
-
Sergi, A.; Mac Kernan, D.; Ciccotti, G.; Kapral, R. Theor. Chem. Acc. 2003, 110, 49.
-
(2003)
Theor. Chem. Acc.
, vol.110
, pp. 49
-
-
Sergi, A.1
Mac Kernan, D.2
Ciccotti, G.3
Kapral, R.4
-
8
-
-
38749152057
-
-
doi:10.1021/jp0761416. PMID:18154283
-
Mac Kernan, D. M.; Ciccotti, G.; Kapral, R. J. Phys. Chem. B 2008, 112, 424. doi:10.1021/jp0761416. PMID: 18154283.
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 424
-
-
Mac Kernan, D.M.1
Ciccotti, G.2
Kapral, R.3
-
12
-
-
50849119690
-
-
doi:10.1063/1.2971041
-
Kim, H.; Nassimi, A.; Kapral, R. J. Chem. Phys. 2008, 129 (8), 084102. doi:10.1063/1.2971041.
-
(2008)
J. Chem. Phys.
, vol.129
, Issue.8
, pp. 084102
-
-
Kim, H.1
Nassimi, A.2
Kapral, R.3
-
13
-
-
33745014742
-
-
doi: 10.1103/PhysRev.40.749
-
Wigner, E. Phys. Rev. 1932, 40, 749. doi:10.1103/PhysRev.40.749.
-
(1932)
Phys. Rev.
, vol.40
, pp. 749
-
-
Wigner, E.1
-
14
-
-
34547303281
-
-
doi:10.1016/0370-1573(84)90160-l
-
Hillery, M.; O'Connell, R.; Scully, M.; Wigner, E. Phys. Rep. 1984, 106, 121. doi:10.1016/0370-1573(84)90160-l.
-
(1984)
Phys. Rep.
, vol.106
, pp. 121
-
-
Hillery, M.1
O'Connell, R.2
Scully, M.3
Wigner, E.4
-
15
-
-
0000029918
-
-
doi:10.1063/l.1705323
-
Imre, K.; Ozizmir, E.; Rosenbaum, M.; Zweifel, P. J. Math. Phys. 1967, 8, 1097. doi:10.1063/l.1705323.
-
(1967)
J. Math. Phys.
, vol.8
, pp. 1097
-
-
Imre, K.1
Ozizmir, E.2
Rosenbaum, M.3
Zweifel, P.4
-
16
-
-
84947399078
-
-
doi:10.1080/00268979500101421
-
Filinov, V.; Medvedev, Y.; Kamskyi, V. Mol. Phys. 1995, 85, 711. doi:10.1080/00268979500101421.
-
(1995)
Mol. Phys.
, vol.85
, pp. 711
-
-
Filinov, V.1
Medvedev, Y.2
Kamskyi, V.3
-
17
-
-
0001564386
-
-
doi:10.1080/00268979650025605
-
Filinov, V. Mol. Phys. 1996, 88, 1517. doi: 10.1080/00268979650025605.
-
(1996)
Mol. Phys.
, vol.88
, pp. 1517
-
-
Filinov, V.1
-
18
-
-
0001244645
-
-
doi:10.1080/00268979650025614
-
Filinov, V. Mol. Phys. 1996, 88, 1529. doi:10.1080/00268979650025614.
-
(1996)
Mol. Phys.
, vol.88
, pp. 1529
-
-
Filinov, V.1
-
19
-
-
8344256586
-
-
doi:10.1063/l.1797191
-
Sergi, A.; Kapral, R. J. Chem. Phys. 2004, 121, 7565. doi:10.1063/l.1797191.
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 7565
-
-
Sergi, A.1
Kapral, R.2
-
20
-
-
0346058194
-
-
doi:10.1063/1.1626631
-
Poulsen, J.; Nyman, G.; Rossky, P. J. Chem. Phys. 2003, 119, 12179. doi:10.1063/1.1626631.
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 12179
-
-
Poulsen, J.1
Nyman, G.2
Rossky, P.3
-
21
-
-
0037799718
-
-
doi:10.1063/1.1564814
-
Shi, Q.; Geva, E. J. Chem. Phys. 2003, 118, 8173. doi:10.1063/1.1564814.
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 8173
-
-
Shi, Q.1
Geva, E.2
-
22
-
-
0002839282
-
-
Biedenharn, L.C., Van Dam, H. Eds., Academic Press: NY
-
Schwinger, J. In Quantum Theory of Angular Momentum; Biedenharn, L.C., Van Dam, H. Eds., Academic Press: NY, 1965; p. 229.
-
(1965)
Quantum Theory of Angular Momentum
, pp. 229
-
-
Schwinger, J.1
-
23
-
-
36149007690
-
-
doi:10.1103/PhysRev.58.1098
-
Holstein, T.; Primakoff, H. Phys. Rev. 1940, 58, 1098. doi:10.1103/PhysRev.58.1098.
-
(1940)
Phys. Rev.
, vol.58
, pp. 1098
-
-
Holstein, T.1
Primakoff, H.2
-
24
-
-
0003081433
-
-
doi:10.1103/PhysRevLett.78.578
-
Stock, G.; Thoss, M. Phys. Rev. Lett. 1997, 78, 578. doi:10.1103/ PhysRevLett.7 8.578.
-
(1997)
Phys. Rev. Lett.
, vol.78
, pp. 578
-
-
Stock, G.1
Thoss, M.2
-
26
-
-
0002738928
-
-
doi:10.1103/PhysRevA.59.64
-
Thoss, M.; Stock, G. Phys. Rev. A 1999, 59, 64. doi:10.1103/PhysRevA.59. 64.
-
(1999)
Phys. Rev. A
, vol.59
, pp. 64
-
-
Thoss, M.1
Stock, G.2
-
29
-
-
0001036887
-
Semiclassical theory of electronically nonadiabatic dynamics: Results of a linearized approximation to the initial value representation
-
DOI 10.1063/1.477389, PII S0021960698020418
-
Sun, X.; Wang, H.; Miller, W. J. Chem. Phys. 1998, 109, 7064. doi:10.1063/1.477389. (Pubitemid 128674371)
-
(1998)
Journal of Chemical Physics
, vol.109
, Issue.17
, pp. 7064-7074
-
-
Sun, X.1
Wang, H.2
Miller, W.H.3
-
30
-
-
0035810449
-
The semiclassical initial value representation: A potentially practical way for adding quantum effects to classical molecular dynamics simulations
-
DOI 10.1021/jp003712k
-
Miller, W. J. Phys. Chem. A 2001, 105, 2942. doi: 10.1021/jp003712k. (Pubitemid 35373060)
-
(2001)
Journal of Physical Chemistry A
, vol.105
, Issue.13
, pp. 2942-2955
-
-
Miller, W.H.1
-
32
-
-
21444433787
-
-
doi:10.1063/l.1896948
-
Bonella, S.; Coker, D. J. Chem. Phys. 2005, 122, 194102. doi:10.1063/l.1896948.
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 194102
-
-
Bonella, S.1
Coker, D.2
-
33
-
-
52349088446
-
-
doi:10.1063/1.2976441
-
Dunkel, E.; Bonella, S.; Coker, D. J. Chem. Phys. 2008, 129, 114106. doi:10.1063/1.2976441.
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 114106
-
-
Dunkel, E.1
Bonella, S.2
Coker, D.3
-
34
-
-
68349108887
-
-
Since the harmonie oscillators are fictitious we may set ma> to 1 to simplify these expressions; however, we retain these forms both to make dimensional consistency manifest and to simplify the dynamical relations (see Section 5) by equating m to the quantum subsystem characteristic mass and ? to the inverse of the scaling time
-
Since the harmonie oscillators are fictitious we may set ma> to 1 to simplify these expressions; however, we retain these forms both to make dimensional consistency manifest and to simplify the dynamical relations (see Section 5) by equating m to the quantum subsystem characteristic mass and ? to the inverse of the scaling time
-
-
-
-
35
-
-
68349102403
-
-
If Hm is placed in other locations, say, either to the right or left in both terms, the evolution operator for W is the mean of the two forms discussed in the text
-
If Hm is placed in other locations, say, either to the right or left in both terms, the evolution operator for W is the mean of the two forms discussed in the text.
-
-
-
-
36
-
-
33748263567
-
Analysis of kinetic isotope effects for nonadiabatic reactions
-
DOI 10.1063/1.2336778
-
Kim, H.; Hanna, G.; Kapral, R. J. Chem. Phys. 2006, 125, 084509. doi:10.1063/1.2336778. (Pubitemid 44320069)
-
(2006)
Journal of Chemical Physics
, vol.125
, Issue.8
, pp. 084509
-
-
Kim, H.1
Hanna, G.2
Kapral, R.3
-
37
-
-
21244437963
-
-
doi:10.1063/l.1925268
-
Kim, H.; Kapral, R. J. Chem. Phys. 2005, 122, 214105. doi:10.1063/l.1925268.
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 214105
-
-
Kim, H.1
Kapral, R.2
-
38
-
-
42949157225
-
Quantum-classical Liouville dynamics of proton and deuteron transfer rates in a solvated hydrogen-bonded complex
-
DOI 10.1063/1.2907847
-
Hanna, G.; Kapral, R. J. Chem. Phys. 2008, 128, 164520. doi:10.1063/1.2907847. (Pubitemid 351620547)
-
(2008)
Journal of Chemical Physics
, vol.128
, Issue.16
, pp. 164520
-
-
Hanna, G.1
Kapral, R.2
|