Vibronic coupling in dimer - A convenient approximation revisited

被引：27

作者：

Andrzejak, Marcin ^{[1
]}

Petelenz, Piotr ^{[1
]}

机构：

[1] Jagiellonian Univ, K Guminski Dept Theoret Chem, PL-30060 Krakow, Poland

来源：

CHEMICAL PHYSICS | 2007年 / 335卷 / 2-3期

关键词：

vibronic coupling; dimer; strong-coupling approximation;

D O I：

10.1016/j.chemphys.2007.04.007

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：

The problem of linear vibronic coupling in model dimer is revisited with the objective of testing a version of the strong vibronic-coupling approximation that is recently used in crystal-optics applications. It is shown that in the limit of strong intermolecular resonance interaction (intense electronic transitions) this approximation fails in a spectacular way, predicting a set of artefact absorption bands. The consequences of this finding for the interpretation of the absorption spectra of oligothiophene crystals are discussed. (C) 2007 Elsevier B.V. All rights reserved.

引用

页码：155 / 163

页数：9

共 37 条

[1]

Agranovich V. M., 1968, THEORY EXCITONS

[2]

Agranovich V.M., 1982, Electronic Excitation Energy Transfer in Condensed Matter

[3] Theoretical calculation of the electro-absorption spectrum of the α-sexithiophene single crystal [J].

Andrzejak, M ;

Petelenz, P ;

Slawik, M ;

Munn, RW .

JOURNAL OF CHEMICAL PHYSICS, 2002, 117 (03) :1328-1335

[4] Polarization energy calculations of charge transfer states in the α-sexithiophene crystal [J].

Andrzejak, M ;

Petelenz, P .

SYNTHETIC METALS, 2000, 109 (1-3) :97-100

[5]

BORN M, 1954, DYNAMICAL THEORY CRY, P00248

[6] POLARIZATION ENERGY OF A LOCALIZED CHARGE IN A MOLECULAR-CRYSTAL .2. CHARGE-QUADRUPOLE ENERGY [J].

BOUNDS, PJ ;

MUNN, RW .

CHEMICAL PHYSICS, 1981, 59 (1-2) :41-45

[7]

CRAIG DP, 1968, EXCITONS MOL CRYSTAL

[8]

DAVYDOW AS, 1962, THEORY MOL EXCITONS

[9]

Ewald PP, 1921, ANN PHYS-BERLIN, V64, P253

[10] Vibronic model for H/D isotopic "self- organization" effects in hydrogen bond cyclic trimeric systems: 4-Bromopyrazole crystal IR spectra [J].

Flakus, HT ;

Pyzik, A .

CHEMICAL PHYSICS, 2006, 323 (2-3) :479-489

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