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Theoretical investigation of the first-order hyperpolarizability in the two-photon resonant region / Teoretisk undersökning av andra ordningens susceptibilitet i det tvåfotonresonanta området

<p>Time-dependent density functional theory calculations have been carried out to determine the complex first-order hyperpolarizability in the two-photon resonance region of the molecule IDS-Cab. Calculations show that three strongly absorbing states, in the ultraviolet region, are separated to the extent that no significant interference of the imaginary parts of the tensor elements of the first-order hyper-polarizability occurs. Consequently, and in contrast to experimental findings [27], no reduced imaginary parts of the first-order hyperpolarizability in the two-photon resonant region can be seen.</p>

Identiferoai:union.ndltd.org:UPSALLA/oai:DiVA.org:liu-10290
Date January 2007
CreatorsBergstedt, Mikael
PublisherLinköping University, The Department of Physics, Chemistry and Biology, Institutionen för fysik, kemi och biologi
Source SetsDiVA Archive at Upsalla University
LanguageEnglish
Detected LanguageEnglish
TypeStudent thesis, text

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