The coupled electronic oscillators vs the sum-over-states pictures for the optical response of octatetraene

被引:20
作者
Chen, GH [1 ]
Mukamel, S [1 ]
Beljonne, D [1 ]
Bredas, JL [1 ]
机构
[1] UNIV MONS, SERV CHIM MAT NOUVEAUX, CTR RECH ELECT & PHOT MOL, B-7000 MONS, BELGIUM
关键词
D O I
10.1063/1.471780
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A coupled electronic oscillator (CEO) analysis of the third harmonic generation (THG) spectrum for octatetraene is presented. The dominant oscillators and their couplings are identified using tree diagrams. The correspondence between the dominant oscillators in the CEO picture and the relevant excited states in the sum-over-states (SOS) description is demonstrated. The important channels in the SOS are related to the dominant oscillator pathways in the CEO picture. (C) 1996 American Institute of Physics.
引用
收藏
页码:5406 / 5414
页数:9
相关论文
共 33 条
  • [1] ANDRE JM, 1991, QUANTUM CHEM AIDED D
  • [2] BELJIONNE D, IN PRESS CHEM PHYS
  • [3] THEORETICAL-STUDY OF THIOPHENE OLIGOMERS - ELECTRONIC EXCITATIONS, RELAXATION ENERGIES, AND NONLINEAR-OPTICAL PROPERTIES
    BELJONNE, D
    SHUAI, Z
    BREDAS, JL
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (11) : 8819 - 8828
  • [4] 2-PHOTON ABSORPTION AND 3RD-HARMONIC GENERATION OF DI-ALKYL-AMINO-NITRO-STILBENE (DANS) - A JOINT EXPERIMENTAL AND THEORETICAL-STUDY
    BELJONNE, D
    BREDAS, JL
    CHA, M
    TORRUELLAS, WE
    STEGEMAN, GI
    HOFSTRAAT, JW
    HORSTHUIS, WHG
    MOHLMANN, GR
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (18) : 7834 - 7843
  • [5] THEORETICAL INVESTIGATION OF 2-PHOTON ABSORPTION AND 3RD-HARMONIC GENERATION IN A LONG THIOPHENE OLIGOMER - ALPHA-HEPTATHIOPHENE
    BELJONNE, D
    BREDAS, JL
    [J]. JOURNAL OF THE OPTICAL SOCIETY OF AMERICA B-OPTICAL PHYSICS, 1994, 11 (08) : 1380 - 1387
  • [6] INDIVIDUALIZED CONFIGURATION SELECTION IN CI CALCULATIONS WITH SUBSEQUENT ENERGY EXTRAPOLATION
    BUENKER, RJ
    PEYERIMH.SD
    [J]. THEORETICA CHIMICA ACTA, 1974, 35 (01): : 33 - 58
  • [7] THE 2(1)A(G) STATE OF ISOLATED CIS,TRANS-1,3,5,7-OCTATETRAENE - 2-COLOR RESONANCE ENHANCED 2-PHOTON IONIZATION STUDIES
    BUMA, WJ
    KOHLER, BE
    SHALER, TA
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (01) : 399 - 407
  • [8] Chemla D.S., 1987, QUANT ELE, DOI 10.1016/B978-0-12-170611-1.50006-1
  • [9] CHEN G, 1994, P SOC PHOTO-OPT INS, V2143, P142
  • [10] CHEN G, UNPUB J PHYS CHEM