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A correlated study of linear optical absorption in tetracene and pentacene

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Title A correlated study of linear optical absorption in tetracene and pentacene
 
Creator SONY, PRIYA
SHUKLA, ALOK
 
Subject conductive plastics
organic polymers
semiconducting organic compounds
hamiltonians
 
Description 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 role of Coulomb parameters used in P–P–P Hamiltonian was also examined by considering standard parameters as well as screened set of parameters. Results are presented both for the long- and the short-axis-polarized components of the spectra and wave functions of various excited states have also been analysed.
 
Publisher Elsevier
 
Date 2009-04-03T09:05:11Z
2011-11-25T20:38:31Z
2011-12-26T13:08:35Z
2011-12-27T05:56:32Z
2009-04-03T09:05:11Z
2011-11-25T20:38:31Z
2011-12-26T13:08:35Z
2011-12-27T05:56:32Z
2005
 
Type Article
 
Identifier Synthetic Metals 155(2), 316-319
0379-6779
http://dx.doi.org/10.1016/j.synthmet.2005.01.036
http://hdl.handle.net/10054/1124
http://dspace.library.iitb.ac.in/xmlui/handle/10054/1124
 
Language en