Self-trapping line of the Holstein molecular crystal model in one dimension

Citation
Ah. Romero et al., Self-trapping line of the Holstein molecular crystal model in one dimension, PHYS REV B, 60(7), 1999, pp. 4618-4623
Citations number
37
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B-CONDENSED MATTER
ISSN journal
01631829 → ACNP
Volume
60
Issue
7
Year of publication
1999
Pages
4618 - 4623
Database
ISI
SICI code
0163-1829(19990815)60:7<4618:SLOTHM>2.0.ZU;2-Q
Abstract
The ground state of the Holstein molecular crystal model of a single electr on in one dimension is studied using the Global-Local variational method, a nalyzing in particular the total energy, kinetic energy, phonon energy, and interaction energy over a broad region of the polaron parameter space. Thr ough the application of objective criteria, a curve is identified that simp ly, accurately, and robustly locates the self-trapping transition separatin g small polaron and large polaron behavior. Particular attention is given t o the kinetic energy, which is compared quantitatively with other perturbat ive and nonperturbative methods. [S0163-1829(99)16631-1].