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

Z. Shuai; S. K. Pati; J. L. Brédas; S. Ramasesha

doi:10.1016/s0379-6779(97)80134-8

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

Z. Shuai^*, S. K. Pati, J. L. Brédas, S. Ramasesha

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

11 Scopus citations

Abstract

Using a symmetrized density matrix renormalization group formulation, we have investigated the electronic binding energy (E_b) 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 δ) for conjugated polymer chains with N=80. The Eb 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.

Original language	English (US)
Pages (from-to)	1011-1014
Number of pages	4
Journal	Synthetic Metals
Volume	85
Issue number	1-3
DOIs	https://doi.org/10.1016/s0379-6779(97)80134-8
State	Published - Mar 15 1997
Externally published	Yes

Keywords

Many-body and quasiparticle theories

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering
Metals and Alloys
Materials Chemistry

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

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 δ) for conjugated polymer chains with N=80. The Eb 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.",

keywords = "Many-body and quasiparticle theories",

author = "Z. Shuai and Pati, {S. K.} and Br{\'e}das, {J. L.} and S. Ramasesha",

year = "1997",

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T1 - DMRG studies of the 1B exciton binding energy and 1B/2A crossover in an extended Hubbard-Peierls model

AU - Shuai, Z.

AU - Pati, S. K.

AU - Brédas, J. L.

AU - Ramasesha, S.

PY - 1997/3/15

Y1 - 1997/3/15

N2 - 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 δ) for conjugated polymer chains with N=80. The Eb 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.

AB - 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 δ) for conjugated polymer chains with N=80. The Eb 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.

KW - Many-body and quasiparticle theories

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U2 - 10.1016/s0379-6779(97)80134-8

DO - 10.1016/s0379-6779(97)80134-8

M3 - Article

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SN - 0379-6779

VL - 85

SP - 1011

EP - 1014

JO - Synthetic Metals

JF - Synthetic Metals

IS - 1-3

ER -

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

Abstract

Keywords

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