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Volumn 135, Issue 17, 2011, Pages

Efficient computation of adiabatic populations in multi-mode Jahn-Teller systems through the use of effective vibrational modes

Author keywords

[No Author keywords available]

Indexed keywords

EFFICIENT COMPUTATION; HIGH-DIMENSIONAL INTEGRALS; JAHN-TELLER SYSTEM; MULTIMODES; NUMERICAL EVALUATIONS; SINGLE MODE; THREE ORDERS OF MAGNITUDE; VIBRATIONAL MODES;

EID: 80855134363     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3656686     Document Type: Article
Times cited : (5)

References (35)
  • 7
    • 0030495574 scopus 로고    scopus 로고
    • 10.1103/RevModPhys.68.985
    • D. R. Yarkony, Rev. Mod. Phys. 68, 985 (1996). 10.1103/RevModPhys.68.985
    • (1996) Rev. Mod. Phys. , vol.68 , pp. 985
    • Yarkony, D.R.1
  • 8
  • 9
    • 18044364426 scopus 로고    scopus 로고
    • Short-time dynamics through conical intersections in macrosystems
    • DOI 10.1103/PhysRevLett.94.113003, 113003
    • L. S. Cederbaum, E. Gindensperger, and I. Burghardt, Phys. Rev. Lett., 94, 113003 (2005). 10.1103/PhysRevLett.94.113003 (Pubitemid 40607107)
    • (2005) Physical Review Letters , vol.94 , Issue.11 , pp. 1-4
    • Cederbaum, L.S.1    Gindensperger, E.2    Burghardt, I.3
  • 14
    • 0019063074 scopus 로고
    • Effective Single-Mode Hamiltonian for the Calculation of Multi-Mode Jahn-Teller Band Shapes
    • DOI 10.1016/0038-1098(80)91044-3
    • L. S. Cederbaum, E. Haller, and W. Domcke, Solid State Commun. 35, 879 (1980). 10.1016/0038-1098(80)91044-3 (Pubitemid 11473392)
    • (1980) Solid State Communications , vol.35 , Issue.11 , pp. 879-881
    • Cederbaum, L.S.1    Haller, E.2    Domcke, W.3
  • 17
    • 0002053823 scopus 로고
    • H.-D. Meyer, 10.1016/0009-2614(90)87014-I
    • H.-D. Meyer, U. Manthe, and L. S. Cederbaum, Chem. Phys. Lett. 165, 73 (1990). 10.1016/0009-2614(90)87014-I
    • (1990) Chem. Phys. Lett. , vol.165 , pp. 73
    • Manthe, U.1    Cederbaum, L.S.2
  • 20
    • 80855123012 scopus 로고    scopus 로고
    • The Heidelberg mctdh package, Version 8.4.6, 2011, see
    • M. H. Beck, A. Jckle, G. Worth, and H.-D. Meyer, The Heidelberg mctdh package, Version 8.4.6, 2011, see http://www.pci.uni-heidelberg.de/tc/usr/mctdh/ doc/index.html.
    • Beck, M.H.1    Jckle, A.2    Worth, G.3    Meyer, H.-D.4
  • 26
    • 0035868611 scopus 로고    scopus 로고
    • The Jahn-Teller and related effects in the cyclopentadienyl radical. I. The ab initio calculation of spectroscopically observable parameters
    • DOI 10.1063/1.1348275
    • B. E. Applegate and T. A. Miller, J. Chem. Phys. 114, 4855 (2001). 10.1063/1.1348275 (Pubitemid 32287637)
    • (2001) Journal of Chemical Physics , vol.114 , Issue.11 , pp. 4855-4868
    • Applegate, B.E.1    Miller, T.A.2    Barckholtz, T.A.3
  • 32
    • 25444444174 scopus 로고    scopus 로고
    • Exploring the Jahn-Teller and pseudo-Jahn-Teller conical intersections in the ethane radical cation
    • DOI 10.1063/1.2032927, 114308
    • T. S. Venkatesan and S. Mahapatra, J. Chem. Phys. 123, 114308 (2005). 10.1063/1.2032927 (Pubitemid 41377065)
    • (2005) Journal of Chemical Physics , vol.123 , Issue.11 , pp. 1-13
    • Venkatesan, T.S.1    Mahapatra, S.2
  • 33
    • 0000275543 scopus 로고
    • 10.1080/00268977400100851
    • J. W. Rabalais and A. Katrib, Mol. Phys. 27, 923 (1974). 10.1080/00268977400100851
    • (1974) Mol. Phys. , vol.27 , pp. 923
    • Rabalais, J.W.1    Katrib, A.2
  • 35
    • 36749113677 scopus 로고
    • 10.1063/1.436497
    • K. C. Kulander, J. Chem. Phys. 69, 5064 (1978). 10.1063/1.436497
    • (1978) J. Chem. Phys. , vol.69 , pp. 5064
    • Kulander, K.C.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.