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Ab initio calculations of three-photon absorption
KTH, Superseded Departments, Biotechnology.
KTH, Superseded Departments, Biotechnology.ORCID iD: 0000-0003-0007-0394
KTH, Superseded Departments, Biotechnology.ORCID iD: 0000-0002-1763-9383
2003 (English)In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 375, no 02-jan, 233-239 p.Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
Elsevier, 2003. Vol. 375, no 02-jan, 233-239 p.
Keyword [en]
multiphoton ionization spectroscopy, 2-photon absorption, response functions, cross-sections, state, benzene, phase, chromophores, excitation, transition
National Category
Theoretical Chemistry
Identifiers
URN: urn:nbn:se:kth:diva-22639DOI: 10.1016/s0009-2614(03)00826-1ISI: 000183931400036Scopus ID: 2-s2.0-0037971319OAI: oai:DiVA.org:kth-22639DiVA: diva2:341337
Note

QC 20100525

Available from: 2010-08-10 Created: 2010-08-10 Last updated: 2017-12-12Bibliographically approved

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Luo, YiÅgren, Hans

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