Local electric field factors by a combined charge-transfer and point–dipole interaction model

A force-field model for the local electric field as a linear response to a frequency-dependent external electric field is presented based on a combined charge-transfer and point–dipole interaction (CT-PDI) force-field model for frequencies through the first absorption maximum. The local electric fie...

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Veröffentlicht in:	RSC advances 2015-01, Vol.5 (40), p.31594-31605
Hauptverfasser:	Davari, Nazanin, Haghdani, Shokouh, Åstrand, Per-Olof, Schatz, George C.
Format:	Artikel
Sprache:	eng
Schlagworte:	Benzene Carbon Dimers Electric fields Mathematical models Nitrogen atoms Parametrization Phenyls
Online-Zugang:	Volltext
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