M. Kuwabara et al., Polarons and bipolarons in conjugated polymers: a density matrix renormalization group study, SYNTH METAL, 101(1-3), 1999, pp. 395-396
Relative stability between a polaron and a bipolarons in nondegenerate conj
ugated polymers is investigated by the UHF and the density matrix renormali
zation group (DMRG) methods in the extended Hubbard-Peierls model. Lattice
distortion is optimized by using the Hellmann-Feynman condition. We show th
at relative stability is very sensitive to electron correlation and that th
e correlation effect stabilizes the bipolaron state in the case the on-site
Hubbard U is much larger than nearest-neighbor V, Furthermore, a new mecha
nism to stabilize bipolaron in strong V regime is suggested.