- 作者: 許昭萍
- 作者服務機構: Institute of Chemistry, Academia Sinica, Nankang, Taipei 115, Taiwan, R.O.C.
- 中文摘要: We review recent progress in the area of theoretical investigations of light-harvesting processes. The application of time-dependent density functional theory (TDDFT) in the calculation of excitation energy transfer coupling factor will be emphasized. The effect of a dielectric environment can be obtained through a response theory based on TDDFT formalism. As an example of applicability of TDDFT, the role of a transition forbidden S1 state of carotenoid in a light-harvesting complex LH2 is discussed in detail. The applicability of TDDFT to states with charge-transfer character is also discussed with a few examples in the literature. Finally we briefly review works on the applications of TDDFT for excitations in chlorophylls and bacteriochlorophylls.
- 英文摘要: --
- 中文關鍵字: Excitation energy transfer; ?Time-dependent density functional theory; ?Density functional theory; ?Light-harvesting; ?LH2; ?Carotenoids; ?Chlorophylls; ?Bacteriochlorophylls; Charge-transfer states; ?Forbidden transition; ?Forster theory; ?Coulomb coupli
- 英文關鍵字: --