메뉴 건너뛰기




Volumn 66, Issue 12, 2002, Pages 1252031-1252037

Ultrafast photoexcitation dynamics in a ladder-type oligophenyl

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE DERIVATIVE;

EID: 0037105172     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.66.125203     Document Type: Article
Times cited : (14)

References (25)
  • 8
    • 84861438468 scopus 로고    scopus 로고
    • edited by G. Hadziioannou and P. F. van Hutten (Wiley-VCH, Weinheim)
    • P. A. Lane, S. V. Frolov, and Z. V. Vardeny, in Semiconducting Polymers, edited by G. Hadziioannou and P. F. van Hutten (Wiley-VCH, Weinheim, 2000), p. 189.
    • (2000) Semiconducting Polymers , pp. 189
    • Lane, P.A.1    Frolov, S.V.2    Vardeny, Z.V.3
  • 12
    • 0004314825 scopus 로고
    • © Semichem, 7128 Summit, Shwanee, KS 66216
    • AMPAC 5.0 User's Manual, © 1994 Semichem, 7128 Summit, Shwanee, KS 66216.
    • (1994) AMPAC 5.0 User's Manual
  • 13
    • 84988751705 scopus 로고    scopus 로고
    • unpublished
    • E. Zojer et al. (unpublished).
    • Zojer, E.1
  • 14
    • 84988765351 scopus 로고    scopus 로고
    • note
    • This CI active space is also consistent with the description obtained for the lowest-lying one-photon allowed state given in Table I.
  • 16
    • 22744459657 scopus 로고
    • J. A. Pople, D. L. Beveridge, and P. A. Dobosh, J. Chem. Phys. 47, 2026 (1967); J. Ridley and M. Zerner, Theor. Chim. Acta 32, 111 (1973).
    • (1973) Theor. Chim. Acta , vol.32 , pp. 111
    • Ridley, J.1    Zerner, M.2
  • 18
    • 84988793460 scopus 로고    scopus 로고
    • note
    • In the approach used here, the one-photon excited states are in fact described at the single configuration interaction (SCI) level while the two-photon states are calculated by considering single and double excitations and decoupling them to the Hartree-Fock solution.
  • 21
    • 84988782577 scopus 로고    scopus 로고
    • note
    • The results displayed in Table I have been obtained for geometries optimized including only configurations characterized by excitations from the HOMO to the LUMO. Increasing the CI active space in the AM1/MECI calculations, or calculating the excited-state absorption using the ground-state geometry yields the same three-peak structure. The shift of the peak positions in all cases in smaller than 0.16 eV. The only significant difference is a larger relative intensity of the highest energy maximum compared to the results shown in Table I. Considering the very complex nature of the description of that excited state (see Table I), this is not unexpected.
  • 22
    • 84988794580 scopus 로고    scopus 로고
    • unpublished
    • D. Beljonne et al. (unpublished).
    • Beljonne, D.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.