Density matrix analysis and simulation of electronic excitations in conjugated and aggregated molecules

被引：535

作者：

Tretiak, S ^{[1
]}

Mukamel, S

机构：

[1] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA

[2] Univ Rochester, Dept Chem, Rochester, NY 14627 USA

[3] Univ Rochester, Dept Phys & Astron, Rochester, NY 14627 USA

来源：

CHEMICAL REVIEWS | 2002年 / 102卷 / 09期

关键词：

D O I：

10.1021/cr0101252

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

This review covers the basic ideas and recent developments in the CEO framework for computing the optical excitations of large conjugated systems and connecting them directly with the motions of electron-hole pairs in real space. Illustrative examples are given, including linear polyenes, donor/acceptor substituted oligomers, poly-phenylenevinylene (PPV) oligomers, chlorophylls, naphthalene and PPV dimers, phenylacetylene dendrimers, and photosynthetic light-harvesting antenna complexes.

引用

页码：3171 / 3212

页数：42

共 505 条

[41] INTRAMOLECULAR CHARGE-TRANSFER IN ELONGATED DONOR-ACCEPTOR CONJUGATED POLYENES [J].

BLANCHARDDESCE, M ;

WORTMANN, R ;

LEBUS, S ;

LEHN, JM ;

KRAMER, P .

CHEMICAL PHYSICS LETTERS, 1995, 243 (5-6) :526-532

[42] LARGE QUADRATIC HYPERPOLARIZABILITIES WITH DONOR-ACCEPTOR POLYENES FUNCTIONALIZED WITH STRONG DONORS - COMPARISON WITH DONOR-ACCEPTOR DIPHENYLPOLYENES [J].

BLANCHARDDESCE, M ;

RUNSER, C ;

FORT, A ;

BARZOUKAS, M ;

LEHN, JM ;

BLOY, V ;

ALAIN, V .

CHEMICAL PHYSICS, 1995, 199 (2-3) :253-261

[43]

Bottcher C J F, 1973, THEORY ELECT POLARIZ

[44] EXCITATION TRANSFER IN THE CORE LIGHT-HARVESTING COMPLEX (LH-1) OF RHODOBACTER-SPHAEROIDES - AN ULTRAFAST FLUORESCENCE DEPOLARIZATION AND ANNIHILATION STUDY [J].

BRADFORTH, SE ;

JIMENEZ, R ;

VANMOURIK, F ;

VANGRONDELLE, R ;

FLEMING, GR .

JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (43) :16179-16191

[45] INFRARED CHARACTERIZATION OF ORIENTED POLY(PHENYLENE VINYLENE) [J].

BRADLEY, DDC ;

FRIEND, RH ;

LINDENBERGER, H ;

ROTH, S .

POLYMER, 1986, 27 (11) :1709-1713

[46] VISIBLE-LIGHT EMISSION FROM SEMICONDUCTING POLYMER DIODES [J].

BRAUN, D ;

HEEGER, AJ .

APPLIED PHYSICS LETTERS, 1991, 58 (18) :1982-1984

[47] Theory of electronic states and excitations in PPV [J].

Brazovskii, S ;

Kirova, N ;

Bishop, AR .

OPTICAL MATERIALS, 1998, 9 (1-4) :465-471

[48] Excited-state electronic structure of conjugated oligomers and polymers:: A quantum-chemical approach to optical phenomena [J].

Brédas, JL ;

Cornil, J ;

Beljonne, D ;

dos Santos, D ;

Shuai, ZG .

ACCOUNTS OF CHEMICAL RESEARCH, 1999, 32 (03) :267-276

[49] 3RD-ORDER NONLINEAR-OPTICAL RESPONSE IN ORGANIC MATERIALS - THEORETICAL AND EXPERIMENTAL ASPECTS [J].

BREDAS, JL ;

ADANT, C ;

TACKX, P ;

PERSOONS, A ;

PIERCE, BM .

CHEMICAL REVIEWS, 1994, 94 (01) :243-278

[50] ABINITIO EFFECTIVE HAMILTONIAN STUDY OF THE ELECTRONIC-PROPERTIES OF CONJUGATED POLYMERS [J].

BREDAS, JL ;

CHANCE, RR ;

BAUGHMAN, RH ;

SILBEY, R .

JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (07) :3673-3678

← 1 2 3 4 5 6 7 8 9 10 →