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Volumn 104, Issue 5-7, 2006, Pages 1081-1093

An effective Hamiltonian for the short-time dynamics at a conical intersection

Author keywords

Conical intersection; Effective Hamiltonian; Short time dynamics

Indexed keywords

MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR PHYSICS; VECTORS;

EID: 33645785050     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970500417887     Document Type: Article
Times cited : (28)

References (48)
  • 22
    • 26444513977 scopus 로고    scopus 로고
    • edited by W. Domcke, D. R. Yarkony, and H. Köppel World Scientific, Singapore
    • H. Köppel, W. Domcke, and L. S. Cederbaum, in Conical Intersections, edited by W. Domcke, D. R. Yarkony, and H. Köppel (World Scientific, Singapore, 2004), Vol. 15, p. 323.
    • (2004) Conical Intersections , vol.15 , pp. 323
    • Köppel, H.1    Domcke, W.2    Cederbaum, L.S.3
  • 34
    • 33645780096 scopus 로고    scopus 로고
    • note
    • Note that, in the case of glancing, or Renner-Teller intersections [1, 3], the quadratic term would correspond to the lowest order in the expansion around the intersection.
  • 38
    • 33645777118 scopus 로고    scopus 로고
    • Short-time dynamics through conical intersections in macrosystems I. Theory: Effective-mode formulation
    • submitted
    • E. Gindensperger, I. Burghardt, and L. S. Cederbaum, Short-time dynamics through conical intersections in macrosystems I. Theory: effective-mode formulation, J. Chem. Phys., submitted (2005).
    • (2005) J. Chem. Phys.
    • Gindensperger, E.1    Burghardt, I.2    Cederbaum, L.S.3
  • 39
    • 33645760608 scopus 로고    scopus 로고
    • note
    • ij (i,j = 1,..., 3,j > i) vanish.
  • 40
    • 33645765669 scopus 로고    scopus 로고
    • note
    • Note further that the residual modes do not couple among each other. This is a result of a certain freedom in determining the remaining elements of the transformation yielding equations (9)-(11) [29].
  • 41
    • 33645752925 scopus 로고    scopus 로고
    • note
    • 2, etc. [48]. Cumulant expansions avoid an exponential scaling with time, such that truncation of the series gives results valid beyond short times.
  • 42
    • 33645764578 scopus 로고    scopus 로고
    • note
    • 23). With this choice, one recovers a Jahn-Teller [1] type problem in the branching plane.
  • 43
    • 33645770385 scopus 로고    scopus 로고
    • note
    • E. Gindensperger, I. Burghardt, and L. S. Cederbaum, Short-time dynamics through conical intersections in macrosystems II. Applications, J. Chem. Phys., submitted (2005).
  • 47
    • 0003897659 scopus 로고    scopus 로고
    • H.-D. Meyer, The MCTDH Package, Version 8.3, 2002
    • G. A. Worth et al., The MCTDH Package, Version 8.2, 2000; H.-D. Meyer, The MCTDH Package, Version 8.3, 2002; see http://www.pci.uni-heidelberg.de/tc/ usr/mctdh.
    • The MCTDH Package, Version 8.2, 2000
    • Worth, G.A.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.