A correlated study of linear optical absorption in tetracene and pentacene
DSpace at IIT Bombay
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Title |
A correlated study of linear optical absorption in tetracene and pentacene
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Creator |
SONY, PRIYA
SHUKLA, ALOK |
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Subject |
conductive plastics
organic polymers semiconducting organic compounds hamiltonians |
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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.
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Publisher |
Elsevier
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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 |
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Type |
Article
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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 |
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Language |
en
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