메뉴 건너뛰기
The Journal of Chemical Physics
Volumn 70, Issue 12, 1979, Pages 5407-5413
The 21Ag-11Bu energy gap in the polyenes: An extended configuration interaction study
Author keywords

[No Author keywords available]
Indexed keywords

EID: 36749121251     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.437475     Document Type: Article
Times cited : (153)
References (47)
  • 19
    • 84951379503 scopus 로고    scopus 로고
    • As a rule of thumb for the excitation energy [formula omitted] of the low‐lying [formula omitted] state holds [formula omitted] where [formula omitted] is the excitation energy of the lowest‐lying triplet [formula omitted] state.
  • 22
    • 84951379500 scopus 로고    scopus 로고
    • The contribution to the [formula omitted] energy gap resulting from different geometry relaxation in the excited states has recently been studied by A. C. Lasaga, R. J. Aerni, and M. Karplus, J. Chem. Phys. (to be published).
  • 33
    • 85034690266 scopus 로고    scopus 로고
    • this article also provides the mathematical framework of the “alternancy symmetry” and contains further references
  • 34
    • 85034686641 scopus 로고
    • Thesis, Göttingen University, November
    • (1978)
    • Tavan, P.1
  • 35
    • 84951379495 scopus 로고    scopus 로고
    • The numerical values of the energy levels presented in Fig. 2 can be obtained from us upon request.
  • 36
    • 84951379494 scopus 로고    scopus 로고
    • The attribute ionic for singlet (+) states and covalent for singlet (−) states stems from the parentage of these states in a valence bond description (see Refs. 13 and 28).

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.