Talus - A quantum Monte Carlo modelling suite
File(s)talus.pdf (334.32 KB)
Accepted version
Author(s)
Stedman, ML
WMC, Foulkes
Type
Journal Article
Abstract
We present the Talus Quantum Monte Carlo modelling suite of programs. The suite provides an extensible environment for the study of a diverse range of physical systems with several QMC algorithms. The overriding concern behind the design of the suite has been to enable new algorithms and, in particular, new systems to be studied with minimal implementation and testing overhead. To this end, we have designed the Monte Carlo and measurement functions to be independent of the actual wavefunction. We describe the main algorithms used, discuss the unusual features of the suite's implementation, and provide results for a simple test calculation. (C) 1998 Published by Elsevier Science B.V.
Date Issued
1998-10
Citation
COMPUT PHYS COMMUN, 1998, 113 (2-3), pp.180-198
ISSN
0010-4655
Publisher
ELSEVIER SCIENCE BV
Start Page
180
End Page
198
Journal / Book Title
COMPUT PHYS COMMUN
Volume
113
Issue
2-3
Copyright Statement
© 1998 Published by Elsevier Science B.V. Personal use of this material is permitted. Permission from IEEE must be obtained for all other uses, in any current or future media, including reprinting/republishing this material for advertising or promotional purposes, creating new collective works, for resale or redistribution to servers or lists, or reuse of any copyrighted component of this work in other works.”
Description
1/10/12 meb. Auhtor version attached, OK to publish.
Identifier
http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=000076719000005&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=1ba7043ffcc86c417c072aa74d649202
Subjects
Monte Carlo
quantum Monte Carlo
variational Monte Carlo
diffusion Monte Carlo
variance minimisation
atoms
WAVE-FUNCTIONS
SIMULATION
SOLIDS
Publication Status
Published