Matrix-product approach to conjugated polymers

Citation
Ma. Martin-delgado et al., Matrix-product approach to conjugated polymers, PHYS REV B, 61(3), 2000, pp. 1841-1846
Citations number
30
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B
ISSN journal
10980121 → ACNP
Volume
61
Issue
3
Year of publication
2000
Pages
1841 - 1846
Database
ISI
SICI code
1098-0121(20000115)61:3<1841:MATCP>2.0.ZU;2-T
Abstract
The matrix product method (MPM) has been used in the past to generate varia tional Ansatze of the ground state (GS) of spin chains and ladders. In this paper we apply the MPM to study the GS of conjugated polymers in the valen ce bond basis, exploiting the charge and spin conservation as well, as the electron-hole and spin-parity symmetries. We employ the U-V-S Hamiltonian, which is a simplified version of the Pariser-Parr-Pople Hamiltonian. For se veral coupling constants U and V and dimerizations delta, we compute the GS energy per monomer, which agrees within a 2-4 % accuracy with the density- matrix renormalization group results. We also show the evolution of the MP- variational parameters in the weak and strong dimerization regimes.