Ab initio calculations of three-photon absorption

被引：54

作者：

Cronstrand, P

Luo, Y ^{[1
]}

Norman, P

Ågren, H

机构：

[1] Royal Inst Technol, SCFAB, SE-10691 Stockholm, Sweden

[2] Linkoping Univ, Dept Phys & Measurement Technol, SE-58183 Linkoping, Sweden

来源：

CHEMICAL PHYSICS LETTERS | 2003年 / 375卷 / 1-2期

关键词：

D O I：

10.1016/S0009-2614(03)00826-1

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：

We present large scale ab initio calculations of three-photon absorption of a series of dithienothiophene based charge transfer molecules using response theory within the random phase approximation. The structure-to-property relations obtained for the three-photon absorption cross-sections are discussed and compared with those for one- and two-photon absorption. (C) 2003 Published by Elsevier Science B.V.

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页码：233 / 239

页数：7

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