메뉴 건너뛰기




Volumn 130, Issue 18, 2009, Pages

Semiclassical description of vibrational quantum coherence in a three dimensional I2Arn (n≤6) cluster: A forward-backward initial value representation implementation

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULES; PROBABILITY DISTRIBUTIONS; SOLVENTS;

EID: 66549085345     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3132224     Document Type: Article
Times cited : (15)

References (42)
  • 1
    • 0034604660 scopus 로고    scopus 로고
    • 1433-7851,. 10.1002/1521-3773(20000804)39:15<2586::AID-ANIE2586>3. 0.CO;2-O
    • A. H. Zewail, Angew. Chem., Int. Ed. 1433-7851 39, 2586 (2000). 10.1002/1521-3773(20000804)39:15<2586::AID-ANIE2586>3.0.CO;2-O
    • (2000) Angew. Chem., Int. Ed. , vol.39 , pp. 2586
    • Zewail, A.H.1
  • 3
    • 0001907393 scopus 로고
    • See, for example, 0021-9606, () 10.1063/1.432796;, J. Phys. Chem. 0022-3654 97, 13469 (1993) 10.1021/j100153a010;, J. Chem. Phys. 0021-9606 101, 4657 (1994) 10.1063/1.467455;, J. Chem. Phys. 0021-9606 105, 11347 (1996) 10.1063/1.472924;, J. Chem. Phys. 0021-9606 110, 6246 (1999). 10.1063/1.478529
    • See, for example, G. D. Billing, J. Chem. Phys. 0021-9606 65, 1 (1976) 10.1063/1.432796; J. Mavri, H. J. C. Berendsen, and W. F. van Gunsteren, J. Phys. Chem. 0022-3654 97, 13469 (1993) 10.1021/j100153a010; S. Hammes-Schiffer and J. C. Tully, J. Chem. Phys. 0021-9606 101, 4657 (1994) 10.1063/1.467455; M. Hintenender, F. Rebentrost, R. Kosloff, and R. B. Gerber, J. Chem. Phys. 0021-9606 105, 11347 (1996) 10.1063/1.472924; P. Zdanska, B. Schmidt, and P. Juangwirth, J. Chem. Phys. 0021-9606 110, 6246 (1999). 10.1063/1.478529
    • (1976) J. Chem. Phys. , vol.65 , pp. 1
    • Billing, G.D.1    Mavri, J.2    Berendsen, H.J.C.3    Van Gunsteren, W.F.4    Hammes-Schiffer, S.5    Tully, J.C.6    Hintenender, M.7    Rebentrost, F.8    Kosloff, R.9    Gerber, R.B.10    Zdanska, P.11    Schmidt, B.12    Juangwirth, P.13
  • 4
    • 0002410596 scopus 로고    scopus 로고
    • 0301-7249,. 10.1039/a805196h
    • W. H. Miller, Faraday Discuss. 0301-7249 110, 1 (1998). 10.1039/a805196h
    • (1998) Faraday Discuss. , vol.110 , pp. 1
    • Miller, W.H.1
  • 5
    • 0035810449 scopus 로고    scopus 로고
    • 1089-5639,. 10.1021/jp003712k
    • W. H. Miller, J. Phys. Chem. A 1089-5639 105, 2942 (2001). 10.1021/jp003712k
    • (2001) J. Phys. Chem. A , vol.105 , pp. 2942
    • Miller, W.H.1
  • 6
    • 63849333727 scopus 로고    scopus 로고
    • 1089-5639,. 10.1021/jp809907p
    • W. H. Miller, J. Phys. Chem. A 1089-5639 113, 1405 (2009). 10.1021/jp809907p
    • (2009) J. Phys. Chem. A , vol.113 , pp. 1405
    • Miller, W.H.1
  • 7
    • 36849114078 scopus 로고
    • 0021-9606,. 10.1063/1.1674535
    • W. H. Miller, J. Chem. Phys. 0021-9606 53, 3578 (1970). 10.1063/1.1674535
    • (1970) J. Chem. Phys. , vol.53 , pp. 3578
    • Miller, W.H.1
  • 8
    • 4243938937 scopus 로고
    • 0301-0104, () 10.1016/0301-0104(84)80039-7;, J. Chem. Phys. 0021-9606 84, 326 (1986) 10.1063/1.450142;, Chem. Phys. Lett. 0009-2614 275, 445 (1997) 10.1016/S0009-2614(97)00780-X;, Chem. Phys. Lett. 0009-2614 286, 361 (1998). 10.1016/S0009-2614(98)00052-9
    • M. F. Herman and E. Kluk, Chem. Phys. 0301-0104 91, 27 (1984) 10.1016/0301-0104(84)80039-7; E. Kluk, M. F. Herman, and H. L. Davis, J. Chem. Phys. 0021-9606 84, 326 (1986) 10.1063/1.450142; M. F. Herman, Chem. Phys. Lett. 0009-2614 275, 445 (1997) 10.1016/S0009-2614(97)00780-X; B. E. Guerin and M. F. Herman, Chem. Phys. Lett. 0009-2614 286, 361 (1998). 10.1016/S0009-2614(98) 00052-9
    • (1984) Chem. Phys. , vol.91 , pp. 27
    • Herman, M.F.1    Kluk, E.2    Kluk, E.3    Herman, M.F.4    Davis, H.L.5    Herman, M.F.6    Guerin, B.E.7    Herman, M.F.8
  • 9
    • 36449008373 scopus 로고
    • 0021-9606, () 10.1063/1.459848;, J. Chem. Phys. 0021-9606 95, 9431 (1991) 10.1063/1.461178;, Chem. Phys. Lett. 0009-2614 241, 45 (1995). 10.1016/0009-2614(95)00605-4
    • E. J. Heller, J. Chem. Phys. 0021-9606 94, 2723 (1991) 10.1063/1.459848; E. J. Heller, J. Chem. Phys. 0021-9606 95, 9431 (1991) 10.1063/1.461178; F. Grossmann and E. J. Heller, Chem. Phys. Lett. 0009-2614 241, 45 (1995). 10.1016/0009-2614(95)00605-4
    • (1991) J. Chem. Phys. , vol.94 , pp. 2723
    • Heller, E.J.1    Heller, E.J.2    Grossmann, F.3    Heller, E.J.4
  • 10
    • 36449004965 scopus 로고
    • 0021-9606, () 10.1063/1.466320;, J. Chem. Phys. 0021-9606 100, 4432 (1994) 10.1063/1.466273;, Annu. Rev. Phys. Chem. 0066-426X 56, 255 (2005). 10.1146/annurev.physchem.56.092503.141257
    • K. G. Kay, J. Chem. Phys. 0021-9606 100, 4377 (1994) 10.1063/1.466320; K. G. Kay, J. Chem. Phys. 0021-9606 100, 4432 (1994) 10.1063/1.466273; K. G. Kay, Annu. Rev. Phys. Chem. 0066-426X 56, 255 (2005). 10.1146/annurev.physchem.56. 092503.141257
    • (1994) J. Chem. Phys. , vol.100 , pp. 4377
    • Kay, K.G.1    Kay, K.G.2    Kay, K.G.3
  • 11
    • 0000463214 scopus 로고
    • 0021-9606,. 10.1063/1.467665
    • K. G. Kay, J. Chem. Phys. 0021-9606 101, 2250 (1994). 10.1063/1.467665
    • (1994) J. Chem. Phys. , vol.101 , pp. 2250
    • Kay, K.G.1
  • 12
    • 0000099321 scopus 로고
    • 1050-2947, () 10.1103/PhysRevA.50.997;, Phys. Rev. Lett. 0031-9007 74, 250 (1995) 10.1103/PhysRevLett.74.250;, J. Chem. Phys. 0021-9606 109, 2999 (1998) 10.1063/1.476892;, Chem. Phys. Lett. 0009-2614 319, 27 (2000). 10.1016/S0009-2614(00)00053-1
    • G. Campolieti and P. Brumer, Phys. Rev. A 1050-2947 50, 997 (1994) 10.1103/PhysRevA.50.997; D. Provost and P. Brumer, Phys. Rev. Lett. 0031-9007 74, 250 (1995) 10.1103/PhysRevLett.74.250; G. Campolieti and P. Brumer, J. Chem. Phys. 0021-9606 109, 2999 (1998) 10.1063/1.476892; B. R. McQuarrie and P. Brumer, Chem. Phys. Lett. 0009-2614 319, 27 (2000). 10.1016/S0009-2614(00)00053- 1
    • (1994) Phys. Rev. A , vol.50 , pp. 997
    • Campolieti, G.1    Brumer, P.2    Provost, D.3    Brumer, P.4    Campolieti, G.5    Brumer, P.6    McQuarrie, B.R.7    Brumer, P.8
  • 13
    • 0030588830 scopus 로고    scopus 로고
    • 0009-2614, () 10.1016/0009-2614(96)01111-6;, J. Chem. Soc., Faraday Trans. 0956-5000 93, 781 (1997) 10.1039/a607595i;, J. Chem. Phys. 0021-9606 109, 3028 (1998) 10.1063/1.476895;, Annu. Rev. Phys. Chem. 0066-426X 51, 553 (2000). 10.1146/annurev.physchem.51.1.553
    • S. Garashchuk and D. J. Tannor, Chem. Phys. Lett. 0009-2614 262, 477 (1996) 10.1016/0009-2614(96)01111-6; S. Garashchuk, F. Grossmann, and D. J. Tannor, J. Chem. Soc., Faraday Trans. 0956-5000 93, 781 (1997) 10.1039/a607595i; S. Garashchuk and D. J. Tannor, J. Chem. Phys. 0021-9606 109, 3028 (1998) 10.1063/1.476895; D. J. Tannor and S. Garashchuk, Annu. Rev. Phys. Chem. 0066-426X 51, 553 (2000). 10.1146/annurev.physchem.51.1.553
    • (1996) Chem. Phys. Lett. , vol.262 , pp. 477
    • Garashchuk, S.1    Tannor, D.J.2    Garashchuk, S.3    Grossmann, F.4    Tannor, D.J.5    Garashchuk, S.6    Tannor, D.J.7    Tannor, D.J.8    Garashchuk, S.9
  • 14
    • 0000264317 scopus 로고    scopus 로고
    • 0026-8976, () 10.1080/00268979650027289;, Chem. Phys. Lett. 0009-2614 244, 448 (1995). 10.1016/0009-2614(95)00942-W
    • A. R. Walton and D. E. Manolopoulos, Mol. Phys. 0026-8976 87, 961 (1996) 10.1080/00268979650027289; A. R. Walton and D. E. Manolopoulos, Chem. Phys. Lett. 0009-2614 244, 448 (1995). 10.1016/0009-2614(95)00942-W
    • (1996) Mol. Phys. , vol.87 , pp. 961
    • Walton, A.R.1    Manolopoulos, D.E.2    Walton, A.R.3    Manolopoulos, D.E.4
  • 16
    • 36449001479 scopus 로고
    • 0021-9606, () 10.1063/1.461177;, J. Chem. Phys. 0021-9606 104, 95 (1996) 10.1063/1.470878;, J. Chem. Phys. 0021-9606 106, 916 (1997) 10.1063/1.473171;, J. Chem. Phys. 0021-9606 106, 6346 (1997) 10.1063/1.473624;, J. Chem. Phys. 0021-9606 108, 8870 (1998) 10.1063/1.476333;, J. Chem. Phys. 0021-9606 110, 9922 (1999) 10.1063/1.478866;, Chem. Phys. Lett. 0009-2614 300, 20 (1999) 10.1016/S0009-2614(98)01290-1;, J. Chem. Phys. 0021-9606 112, 5566 (2000) 10.1063/1.481130;, J. Chem. Phys. 0021-9606 112, 10282 (2000). 10.1063/1.481668
    • W. H. Miller, J. Chem. Phys. 0021-9606 95, 9428 (1991) 10.1063/1.461177; B. W. Spath and W. H. Miller, J. Chem. Phys. 0021-9606 104, 95 (1996) 10.1063/1.470878; X. Sun and W. H. Miller, J. Chem. Phys. 0021-9606 106, 916 (1997) 10.1063/1.473171; X. Sun and W. H. Miller, J. Chem. Phys. 0021-9606 106, 6346 (1997) 10.1063/1.473624; X. Sun and W. H. Miller, J. Chem. Phys. 0021-9606 108, 8870 (1998) 10.1063/1.476333; V. Guallar, V. S. Batista, and W. H. Miller, J. Chem. Phys. 0021-9606 110, 9922 (1999) 10.1063/1.478866; D. E. Skinner and W. H. Miller, Chem. Phys. Lett. 0009-2614 300, 20 (1999) 10.1016/S0009-2614(98) 01290-1; E. A. Coronado, V. S. Batista, and W. H. Miller, J. Chem. Phys. 0021-9606 112, 5566 (2000) 10.1063/1.481130; M. Thoss, W. H. Miller, and G. Stock, J. Chem. Phys. 0021-9606 112, 10282 (2000). 10.1063/1.481668
    • (1991) J. Chem. Phys. , vol.95 , pp. 9428
    • Miller, W.H.1    Spath, B.W.2    Miller, W.H.3    Sun, X.4    Miller, W.H.5    Sun, X.6    Miller, W.H.7    Sun, X.8    Miller, W.H.9    Guallar, V.10    Batista, V.S.11    Miller, W.H.12    Skinner, D.E.13    Miller, W.H.14    Coronado, E.A.15    Batista, V.S.16    Miller, W.H.17    Thoss, M.18    Miller, W.H.19    Stock, G.20    more..
  • 18
    • 0032503740 scopus 로고    scopus 로고
    • 0009-2614, () 10.1016/S0009-2614(98)00581-8;, Chem. Phys. Lett. 0009-2614 318, 305 (2000). 10.1016/S0009-2614(00)00009-9
    • D. V. Shalashilin and B. Jackson, Chem. Phys. Lett. 0009-2614 291, 143 (1998) 10.1016/S0009-2614(98)00581-8; D. V. Shalashilin and B. Jackson, Chem. Phys. Lett. 0009-2614 318, 305 (2000). 10.1016/S0009-2614(00)00009-9
    • (1998) Chem. Phys. Lett. , vol.291 , pp. 143
    • Shalashilin, D.V.1    Jackson, B.2    Shalashilin, D.V.3    Jackson, B.4
  • 19
    • 0003081433 scopus 로고    scopus 로고
    • 0031-9007, () 10.1103/PhysRevLett.78.578;, Phys. Rev. A 1050-2947 59, 64 (1999). 10.1103/PhysRevA.59.64
    • G. Stock and M. Thoss, Phys. Rev. Lett. 0031-9007 78, 578 (1997) 10.1103/PhysRevLett.78.578; M. Thoss and G. Stock, Phys. Rev. A 1050-2947 59, 64 (1999). 10.1103/PhysRevA.59.64
    • (1997) Phys. Rev. Lett. , vol.78 , pp. 578
    • Stock, G.1    Thoss, M.2    Thoss, M.3    Stock, G.4
  • 20
    • 0000669138 scopus 로고    scopus 로고
    • 0031-9007,. 10.1103/PhysRevLett.83.524
    • G. van de Sand and J. -M. Rost, Phys. Rev. Lett. 0031-9007 83, 524 (1999). 10.1103/PhysRevLett.83.524
    • (1999) Phys. Rev. Lett. , vol.83 , pp. 524
    • Van De Sand, G.1    Rost, J.-M.2
  • 21
    • 0000004397 scopus 로고    scopus 로고
    • 1050-2947,. 10.1103/PhysRevA.60.1791
    • F. Grossmann, Phys. Rev. A 1050-2947 60, 1791 (1999). 10.1103/PhysRevA.60.1791
    • (1999) Phys. Rev. A , vol.60 , pp. 1791
    • Grossmann, F.1
  • 22
    • 0042933163 scopus 로고    scopus 로고
    • 0021-9606, () 10.1063/1.478571; also, see Ref..
    • X. Sun and W. H. Miller, J. Chem. Phys. 0021-9606 110, 6635 (1999) 10.1063/1.478571; also, see Ref..
    • (1999) J. Chem. Phys. , vol.110 , pp. 6635
    • Sun, X.1    Miller, W.H.2
  • 23
    • 0032503752 scopus 로고    scopus 로고
    • 0009-2614, () 10.1016/S0009-2614(98)00590-9;, Phys. Rev. E 1063-651X 59, R4729 (1999). 10.1103/PhysRevE.59.R4729
    • N. Makri and K. Thompson, Chem. Phys. Lett. 0009-2614 291, 101 (1998) 10.1016/S0009-2614(98)00590-9; K. Thompson and N. Makri, Phys. Rev. E 1063-651X 59, R4729 (1999). 10.1103/PhysRevE.59.R4729
    • (1998) Chem. Phys. Lett. , vol.291 , pp. 101
    • Makri, N.1    Thompson, K.2    Thompson, K.3    Makri, N.4
  • 28
    • 0003527976 scopus 로고    scopus 로고
    • 2nd ed. (University Science Books, Saussalito, CA), Chaps..
    • D. A. McQuarrie, Statistical Mechanics, 2nd ed. (University Science Books, Saussalito, CA, 2000), Chaps..
    • (2000) Statistical Mechanics
    • McQuarrie, D.A.1
  • 30
    • 23944514543 scopus 로고
    • 0021-9606, () 10.1063/1.430620;, Acc. Chem. Res. 0001-4842 14, 368 (1981). 10.1021/ar00072a002
    • E. J. Heller, J. Chem. Phys. 0021-9606 62, 1544 (1975) 10.1063/1.430620; E. J. Heller, Acc. Chem. Res. 0001-4842 14, 368 (1981). 10.1021/ar00072a002
    • (1975) J. Chem. Phys. , vol.62 , pp. 1544
    • Heller, E.J.1    Heller, E.J.2
  • 31
  • 32
    • 0036904356 scopus 로고    scopus 로고
    • 0021-9606,. 10.1063/1.1517044
    • Y. Zhao and W. H. Miller, J. Chem. Phys. 0021-9606 117, 9605 (2002). 10.1063/1.1517044
    • (2002) J. Chem. Phys. , vol.117 , pp. 9605
    • Zhao, Y.1    Miller, W.H.2
  • 33
    • 34648837202 scopus 로고    scopus 로고
    • 0021-9606,. 10.1063/1.2774990
    • J. Liu and W. H. Miller, J. Chem. Phys. 0021-9606 127, 114506 (2007). 10.1063/1.2774990
    • (2007) J. Chem. Phys. , vol.127 , pp. 114506
    • Liu, J.1    Miller, W.H.2
  • 34
    • 0043268781 scopus 로고    scopus 로고
    • The idea proposed in Ref. has also been applied to study quantum thermal effects [see, for example, 0021-9606, () 10.1063/1.1580472;, J. Chem. Phys. 0021-9606 119, 8592 (2003) 10.1063/1.1611473;, J. Theor. Comput. Chem. 0219-6336 3, 391 (2004) 10.1142/S0219633604001112;, Proc. Natl. Acad. Sci. U.S.A. 0027-8424 102, 4230 (2005)], 10.1073/pnas.0501127102 and to calculate linear absorption spectrum and nonlinear optical response functions, see, for example, J. Phys. Chem. A 1089-5639 103, 9487 (1999) 10.1021/jp991836v;, J. Chem. Phys. 0021-9606 114, 7130 (2001) 10.1063/1.1357205;, J. Chem. Phys. 0021-9606 122, 064506 (2005) 10.1063/1.1843813;, J. Chem. Phys. 0021-9606 129, 124505 (2008). 10.1063/1.2981566
    • The idea proposed in Ref. has also been applied to study quantum thermal effects [see, for example, N. J. Wright and N. Makri, J. Chem. Phys. 0021-9606 119, 1634 (2003) 10.1063/1.1580472; A. Nakayama and N. Makri, J. Chem. Phys. 0021-9606 119, 8592 (2003) 10.1063/1.1611473; N. Makri, A. Nakayama, and N. Wright, J. Theor. Comput. Chem. 0219-6336 3, 391 (2004) 10.1142/ S0219633604001112; A. Nakayama and N. Makri, Proc. Natl. Acad. Sci. U.S.A. 0027-8424 102, 4230 (2005)], 10.1073/pnas.0501127102 and to calculate linear absorption spectrum and nonlinear optical response functions, see, for example, O. Kühn and N. Makri, J. Phys. Chem. A 1089-5639 103, 9487 (1999) 10.1021/jp991836v; M. Ovchinnikov, V. A. Apkarian, and G. A. Voth, J. Chem. Phys. 0021-9606 114, 7130 (2001) 10.1063/1.1357205; Q. Shi and E. Geva, J. Chem. Phys. 0021-9606 122, 064506 (2005) 10.1063/1.1843813; Q. Shi and E. Geva, J. Chem. Phys. 0021-9606 129, 124505 (2008). 10.1063/1.2981566
    • (2003) J. Chem. Phys. , vol.119 , pp. 1634
    • Wright, N.J.1    Makri, N.2    Nakayama, A.3    Makri, N.4    Makri, N.5    Nakayama, A.6    Wright, N.7    Nakayama, A.8    Makri, N.9    Kühn, O.10    Makri, N.11    Ovchinnikov, M.12    Apkarian, V.A.13    Voth, G.A.14    Shi, Q.15    Geva, E.16    Shi, Q.17    Geva, E.18
  • 36
    • 0002797142 scopus 로고
    • 0009-2614,. 10.1016/0009-2614(92)86027-F
    • S. K. Gray, Chem. Phys. Lett. 0009-2614 197, 86 (1992). 10.1016/0009-2614(92)86027-F
    • (1992) Chem. Phys. Lett. , vol.197 , pp. 86
    • Gray, S.K.1
  • 37
  • 38
    • 1142279256 scopus 로고
    • 0022-3654,. 10.1021/j100319a003
    • R. Kosloff, J. Phys. Chem. 0022-3654 92, 2087 (1988). 10.1021/j100319a003
    • (1988) J. Phys. Chem. , vol.92 , pp. 2087
    • Kosloff, R.1
  • 40
    • 0030217515 scopus 로고    scopus 로고
    • 0022-3654,. 10.1021/jp9608483
    • R. M. Stratt and M. Maroncelli, J. Phys. Chem. 0022-3654 100, 12981 (1996). 10.1021/jp9608483
    • (1996) J. Phys. Chem. , vol.100 , pp. 12981
    • Stratt, R.M.1    Maroncelli, M.2
  • 41
    • 0038470336 scopus 로고    scopus 로고
    • 0021-9606,. 10.1063/1.471973
    • C. F. Spencer and R. F. Loring, J. Chem. Phys. 0021-9606 105, 6596 (1996). 10.1063/1.471973
    • (1996) J. Chem. Phys. , vol.105 , pp. 6596
    • Spencer, C.F.1    Loring, R.F.2
  • 42
    • 84891285841 scopus 로고    scopus 로고
    • in, edited by J. T. Hynes, J. P. Klinman, H. H. Limbach, and R. L. Schowen (Wiley-VCH, Weinheim)
    • T. Elsaesser, in Hydrogen-transfer Reactions, edited by, J. T. Hynes, J. P. Klinman, H. H. Limbach, and, R. L. Schowen, (Wiley-VCH, Weinheim, 2007), pp. 459-477.
    • (2007) Hydrogen-transfer Reactions , pp. 459-477
    • Elsaesser, T.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.