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Volumn 114, Issue 5, 2001, Pages 2001-2012

Quantum-classical Liouville description of multidimensional nonadiabatic molecular dynamics

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON TRANSPORT PROPERTIES; MATHEMATICAL MODELS; NUMERICAL METHODS; QUANTUM THEORY;

EID: 0034817515     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1336576     Document Type: Article
Times cited : (84)

References (82)
  • 1
    • 0004205622 scopus 로고
    • edited by J. A. Wheeler and W. H. Zurek Princeton University Press, Princeton
    • Quantum Theory and Measurement, edited by J. A. Wheeler and W. H. Zurek (Princeton University Press, Princeton, 1983).
    • (1983) Quantum Theory and Measurement
  • 3
    • 0003692531 scopus 로고    scopus 로고
    • edited by B. J. Berne, G. Ciccotti, and D. F. Coker World Scientific, Singapore
    • See, for example, articles in Quantum and Classical Dynamics in Condensed Phase Simulations, edited by B. J. Berne, G. Ciccotti, and D. F. Coker (World Scientific, Singapore, 1998).
    • (1998) Quantum and Classical Dynamics in Condensed Phase Simulations
  • 19
    • 0002627110 scopus 로고
    • edited by M. P. Alien and D. J. Tildesley Kluwer Academic, Dordecht
    • D. F. Coker, in Computer Simulation in Chemical Physics, edited by M. P. Alien and D. J. Tildesley (Kluwer Academic, Dordecht, 1993), p. 315.
    • (1993) Computer Simulation in Chemical Physics , pp. 315
    • Coker, D.F.1
  • 36
    • 33646286081 scopus 로고    scopus 로고
    • C. Schuette, ZIB-preprint SC-99-10 (1999)
    • C. Schuette, ZIB-preprint SC-99-10 (1999).
  • 40
  • 47
  • 50
    • 33646307125 scopus 로고    scopus 로고
    • Ph.D. thesis, Freie Universität Berlin (unpublished)
    • T. C. Schmidt, Ph.D. thesis, Freie Universität Berlin (unpublished).
    • Schmidt, T.C.1
  • 52
    • 33646279689 scopus 로고    scopus 로고
    • V. S. Filinov, S. Bonella, Y. L. Lozovik, A. V. Filinov, and I. Zacherov, in Ref. 3
    • V. S. Filinov, S. Bonella, Y. L. Lozovik, A. V. Filinov, and I. Zacherov, in Ref. 3.
  • 57
    • 33646290140 scopus 로고    scopus 로고
    • 2
    • 2.
  • 68
    • 33646302925 scopus 로고    scopus 로고
    • note
    • 2 = Tr p22 ard the corresponding coherences are zero, nevertheless, there are the same number of random walkers in these states which need to cancel themselves in the phase average.
  • 69
    • 33646329701 scopus 로고    scopus 로고
    • note
    • 6 random walkers would be required.
  • 70
    • 33646278204 scopus 로고    scopus 로고
    • See, for example, the reviews of Coker (Ref. 17) and Tully in Ref. 3
    • See, for example, the reviews of Coker (Ref. 17) and Tully in Ref. 3.
  • 82
    • 33646299744 scopus 로고    scopus 로고
    • As compared to the level density of the higher-lying adiabatic state at a given energy
    • As compared to the level density of the higher-lying adiabatic state at a given energy.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.