ACCELERATED METROPOLIS METHOD

TitleACCELERATED METROPOLIS METHOD
Publication TypeJournal Article
Year of Publication1993
AuthorsUmrigar CJ
JournalPhys. Rev. Lett.
Volume71
Pagination408-411
Date PublishedJul 19
ISSN0031-9007
Abstract

It is shown that the freedom in the choice of the proposal matrix in the generalized Metropolis method can be used to greatly enhance the efficiency of the method. For example, the difficulties associated with the existence of multiple length scales in electronic structure calculations can be avoided by making an intelligent choice. Results are presented for Ne, Ar, and Li2.

DOI10.1103/PhysRevLett.71.408