A correlated study of linear optical absorption in tetracene and pentacene

In this paper, we report large-scale configuration interaction (CI) calculations of linear optical absorption spectra of tetracene and pentacene. For the purpose, we used Pariser–Parr–Pople (P–P–P) model Hamiltonian and quadruple-CI (QCI) and multi-reference single–double CI (MRSDCI) approaches. The...

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Veröffentlicht in:	Synthetic metals 2005-11, Vol.155 (2), p.316-319
Hauptverfasser:	Sony, Priya, Shukla, Alok
Format:	Artikel
Sprache:	eng
Schlagworte:	Applied sciences Electrical, magnetic and optical properties Exact sciences and technology Organic polymers Organic semi-conductors based on conjugated molecules (not polymers) (anthracenes, perylenes, etc.) Other conjugated and/or conducting polymers Physicochemistry of polymers Properties and characterization Semi-emprical models and model calculations
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