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Ab initio calculations of three-photon absorption

✍ Scribed by Peter Cronstrand; Yi Luo; Patrick Norman; Hans Ågren

Book ID: 104108153
Publisher: Elsevier Science
Year: 2003
Tongue: English
Weight: 197 KB
Volume: 375
Category: Article
ISSN: 0009-2614
DOI: 10.1016/s0009-2614(03)00826-1

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✦ Synopsis

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.

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