DMRG studies of the 1B exciton binding energy and 1B/2A crossover in an extended Hubbard-Peierls model

Shuai, S and Patil, S K and Bredas, J L and Ramasesha, S (1997) DMRG studies of the 1B exciton binding energy and 1B/2A crossover in an extended Hubbard-Peierls model. In: Synthetic Metals, 85 (1-3). pp. 336-341.

PDF DMRG_studies.pdf - Published Version Restricted to Registered users only Download (429kB) | Request a copy

Abstract

Using a symmetrized density matrix renormalization group formulation, we have investigated the electronic binding energy (Eb) Of the lowest optically allowed exciton (1B) and the crossover behavior of the 1B/2A states within an extended Hubbard-Peierls model (with parameters U, V, and delta) for conjugated polylner chains with N=80. The E-b value is found to be around 0.1 eV for polyacetylene and 0.22-0.45 eV for PPV when considering a realistic range of parameters. The 1B/2A crossover behavior is investigated for a wide range of parameters.

Item Type:	Journal Article
Publication:	Synthetic Metals
Publisher:	Elsevier Science
Additional Information:	Copyright of this article belongs to Elsevier Science.
Department/Centre:	Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited:	01 Jun 2009 11:07
Last Modified:	19 Sep 2010 05:25
URI:	http://eprints.iisc.ac.in/id/eprint/18870

Actions (login required)

View Item