OPTIMAL ENERGY ESTIMATION IN PATH-INTEGRAL MONTE-CARLO SIMULATIONS

Authors
Citation
W. Janke et T. Sauer, OPTIMAL ENERGY ESTIMATION IN PATH-INTEGRAL MONTE-CARLO SIMULATIONS, The Journal of chemical physics, 107(15), 1997, pp. 5821-5839
Citations number
40
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
107
Issue
15
Year of publication
1997
Pages
5821 - 5839
Database
ISI
SICI code
0021-9606(1997)107:15<5821:OEEIPM>2.0.ZU;2-L
Abstract
We investigate the properties of two standard energy estimators used i n path-integral Monte Carlo simulations. By disentangling the variance of the estimators and their autocorrelation times we analyze the depe ndence of the performance on the update algorithm and present a detail ed comparison of refined update schemes such as multigrid and staging techniques, We show that a proper combination of the two estimators le ads to a further reduction of the statistical error of the estimated e nergy with respect to the better of the two without extra cost. (C) 19 97 American Institute of Physics.