메뉴 건너뛰기




Volumn 131, Issue 16, 2009, Pages

Wavepacket approach to the cumulative reaction probability within the flux operator formalism

Author keywords

[No Author keywords available]

Indexed keywords

BERYLLIUM MINERALS; DELTA FUNCTIONS; GAUSSIAN DISTRIBUTION; QUANTUM CHEMISTRY; QUANTUM THEORY; SURFACE STRUCTURE; TRAJECTORIES; WAVE PACKETS;

EID: 72049115548     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3251333     Document Type: Article
Times cited : (7)

References (31)
  • 2
    • 0001288690 scopus 로고
    • 0021-9606, 10.1063/1.454702
    • T. J. Park and J. C. Light, J. Chem. Phys. 0021-9606 88, 4897 (1988). 10.1063/1.454702
    • (1988) J. Chem. Phys. , vol.88 , pp. 4897
    • Park, T.J.1    Light, J.C.2
  • 3
    • 36449002889 scopus 로고
    • 0021-9606, 10.1063/1.461025
    • T. Seideman and W. H. Miller, J. Chem. Phys. 0021-9606 95, 1768 (1991). 10.1063/1.461025
    • (1991) J. Chem. Phys. , vol.95 , pp. 1768
    • Seideman, T.1    Miller, W.H.2
  • 4
    • 0000898866 scopus 로고    scopus 로고
    • 0021-9606, 10.1063/1.471302
    • D. H. Zhang and J. C. Light, J. Chem. Phys. 0021-9606 104, 6184 (1996). 10.1063/1.471302
    • (1996) J. Chem. Phys. , vol.104 , pp. 6184
    • Zhang, D.H.1    Light, J.C.2
  • 5
    • 0000001384 scopus 로고    scopus 로고
    • 0301-7249, 10.1039/a801188e
    • J. C. Light and D. H. Zhang, Faraday Discuss. 0301-7249 110, 105 (1998). 10.1039/a801188e
    • (1998) Faraday Discuss. , vol.110 , pp. 105
    • Light, J.C.1    Zhang, D.H.2
  • 6
    • 0036572651 scopus 로고    scopus 로고
    • Combining semiclassical time evolution and quantum boltzmann operator to evaluate reactive flux correlation function for thermal rate constants of complex systems
    • DOI 10.1063/1.1464539
    • T. Yamamoto, H. Wang, and W. H. Miller, J. Chem. Phys. 0021-9606 116, 7335 (2002). 10.1063/1.1464539 (Pubitemid 34599049)
    • (2002) Journal of Chemical Physics , vol.116 , Issue.17 , pp. 7335-7349
    • Yamamoto, T.1    Wang, H.2    Miller, W.H.3
  • 7
    • 33847698613 scopus 로고    scopus 로고
    • Chemical reaction rates using the semiclassical Van Vleck initial value representation
    • DOI 10.1063/1.2567200
    • C. Venkataraman and W. H. Miller, J. Chem. Phys. 0021-9606 126, 094104 (2007). 10.1063/1.2567200 (Pubitemid 46385618)
    • (2007) Journal of Chemical Physics , vol.126 , Issue.9 , pp. 094104
    • Venkataraman, C.1    Miller, W.H.2
  • 11
    • 0003001699 scopus 로고    scopus 로고
    • Accurate reaction rate calculations including internal and rotational motion: A statistical multi-configurational time-dependent Hartree approach
    • DOI 10.1063/1.478128, PII S0021960698028487
    • F. Matzkies and U. Manthe, J. Chem. Phys. 0021-9606 110, 88 (1999). 10.1063/1.478128 (Pubitemid 129708029)
    • (1999) Journal of Chemical Physics , vol.110 , Issue.1 , pp. 88-96
    • Matzkies, F.1    Manthe, U.2
  • 12
    • 23944514543 scopus 로고
    • 0021-9606, 10.1063/1.430620
    • E. J. Heller, J. Chem. Phys. 0021-9606 62, 1544 (1975). 10.1063/1.430620
    • (1975) J. Chem. Phys. , vol.62 , pp. 1544
    • Heller, E.J.1
  • 13
    • 36749113388 scopus 로고
    • 0021-9606, 10.1063/1.442382
    • E. J. Heller, J. Chem. Phys. 0021-9606 75, 2923 (1981). 10.1063/1.442382
    • (1981) J. Chem. Phys. , vol.75 , pp. 2923
    • Heller, E.J.1
  • 14
    • 0001629950 scopus 로고
    • 0021-9606, 10.1063/1.441822
    • R. C. Brown and E. J. Heller, J. Chem. Phys. 0021-9606 75, 186 (1981). 10.1063/1.441822
    • (1981) J. Chem. Phys. , vol.75 , pp. 186
    • Brown, R.C.1    Heller, E.J.2
  • 15
    • 4243938937 scopus 로고
    • 0301-0104, 10.1016/0301-0104(84)80039-7
    • M. F. Herman and E. Kluk, Chem. Phys. 0301-0104 91, 27 (1984). 10.1016/0301-0104(84)80039-7
    • (1984) Chem. Phys. , vol.91 , pp. 27
    • Herman, M.F.1    Kluk, E.2
  • 16
    • 36449004965 scopus 로고
    • 0021-9606, 10.1063/1.466320
    • K. G. Kay, J. Chem. Phys. 0021-9606 100, 4377 (1994). 10.1063/1.466320
    • (1994) J. Chem. Phys. , vol.100 , pp. 4377
    • Kay, K.G.1
  • 17
    • 0000517401 scopus 로고
    • 0021-9606, 10.1063/1.463502
    • M. Thachuk and G. C. Schatz, J. Chem. Phys. 0021-9606 97, 7297 (1992). 10.1063/1.463502
    • (1992) J. Chem. Phys. , vol.97 , pp. 7297
    • Thachuk, M.1    Schatz, G.C.2
  • 18
    • 0001779097 scopus 로고
    • 0009-2614, 10.1016/0009-2614(95)00605-4
    • F. Grossmann and E. J. Heller, Chem. Phys. Lett. 0009-2614 241, 45 (1995). 10.1016/0009-2614(95)00605-4
    • (1995) Chem. Phys. Lett. , vol.241 , pp. 45
    • Grossmann, F.1    Heller, E.J.2
  • 19
  • 20
    • 0031189248 scopus 로고    scopus 로고
    • 0021-9606, 10.1063/1.474353
    • E. Pollak, J. Chem. Phys. 0021-9606 107, 64 (1997). 10.1063/1.474353
    • (1997) J. Chem. Phys. , vol.107 , pp. 64
    • Pollak, E.1
  • 21
    • 0032559085 scopus 로고    scopus 로고
    • 0009-2614, 10.1016/S0009-2614(97)01236-0
    • U. Manthe and F. Matzkies, Chem. Phys. Lett. 0009-2614 282, 442 (1998). 10.1016/S0009-2614(97)01236-0
    • (1998) Chem. Phys. Lett. , vol.282 , pp. 442
    • Manthe, U.1    Matzkies, F.2
  • 22
    • 0000076059 scopus 로고    scopus 로고
    • 0021-9606, 10.1063/1.475892
    • F. Matzkies and U. Manthe, J. Chem. Phys. 0021-9606 108, 4828 (1998). 10.1063/1.475892
    • (1998) J. Chem. Phys. , vol.108 , pp. 4828
    • Matzkies, F.1    Manthe, U.2
  • 23
    • 0035967409 scopus 로고    scopus 로고
    • 2 reaction: Full-dimensional and reduced dimensionality rate constant calculations
    • DOI 10.1021/jp003579w
    • F. Huarte-Larraaga and U. Manthe, J. Phys. Chem. A 1089-5639 105, 2522 (2001). 10.1021/jp003579w (Pubitemid 35373115)
    • (2001) Journal of Physical Chemistry A , vol.105 , Issue.12 , pp. 2522-2529
    • Huarte-Larranaga, F.1    Manthe, U.2
  • 24
    • 36449003572 scopus 로고
    • 0021-9606, 10.1063/1.462832
    • T. Seideman and W. H. Miller, J. Chem. Phys. 0021-9606 96, 4412 (1992). 10.1063/1.462832
    • (1992) J. Chem. Phys. , vol.96 , pp. 4412
    • Seideman, T.1    Miller, W.H.2
  • 25
    • 34250913931 scopus 로고
    • 0044-3328
    • E. Madelung, Z. Phys. 0044-3328 40, 322 (1926).
    • (1926) Z. Phys. , vol.40 , pp. 322
    • Madelung, E.1
  • 26
    • 35948974968 scopus 로고
    • 0096-8250, 10.1103/PhysRev.85.166
    • D. Bohm, Phys. Rev. 0096-8250 85, 166 (1952). 10.1103/PhysRev.85.166
    • (1952) Phys. Rev. , vol.85 , pp. 166
    • Bohm, D.1
  • 28
    • 0141561835 scopus 로고    scopus 로고
    • 0009-2614, 10.1016/S0009-2614(03)01008-X
    • S. Garashchuk and V. A. Rassolov, Chem. Phys. Lett. 0009-2614 376, 358 (2003). 10.1016/S0009-2614(03)01008-X
    • (2003) Chem. Phys. Lett. , vol.376 , pp. 358
    • Garashchuk, S.1    Rassolov, V.A.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.