Simulation of quantum systems using path integrals in a generalized ensemble

Citation
I. Andricioaei et al., Simulation of quantum systems using path integrals in a generalized ensemble, CHEM P LETT, 346(3-4), 2001, pp. 274-282
Citations number
29
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
346
Issue
3-4
Year of publication
2001
Pages
274 - 282
Database
ISI
SICI code
0009-2614(20011005)346:3-4<274:SOQSUP>2.0.ZU;2-D
Abstract
The possibility of using path-integral simulations in a generalized ensembl e based on the Tsallis statistics is explored. The primitive model algorith m with the Tsallis ensemble replacing the canonical ensemble converges to t he quantum-mechanical result with a smaller number of beads in the isomorph ic chain. Examples considered are the harmonic oscillator, two. double-well systems and a double-well system immersed in an adiabatic solvent. (C) 200 1 Elsevier Science B.V. All rights reserved.