Files in this item

FilesDescriptionFormat

application/pdf

application/pdf9996627.pdf (4MB)Restricted to U of Illinois
(no description provided)PDF

Description

Title:Monte Carlo Methods: Application to Hydrogen Gas and Hard Spheres
Author(s):Dewing, Mark Douglas
Doctoral Committee Chair(s):Ceperley, David M.
Department / Program:Physics
Discipline:Physics
Degree Granting Institution:University of Illinois at Urbana-Champaign
Degree:Ph.D.
Genre:Dissertation
Subject(s):Physics, Condensed Matter
Abstract:The challenges in constructing an efficient CEIMC simulation center mostly around the noisy results generated from the QMC computations of the electronic energy. We introduce two complementary techniques, one for tolerating the noise and the other for reducing it. The penalty method modifies the Metropolis acceptance ratio to tolerate noise without introducing a bias in the simulation of the nuclei. For reducing the noise, we introduce the two-sided energy difference method, which uses correlated sampling to compute the energy change associated with a trial move of the nuclear coordinates. Unlike the standard reweighting method, it remains stable as the energy difference increases.
Issue Date:2001
Type:Text
Language:English
Description:85 p.
Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 2001.
URI:http://hdl.handle.net/2142/80694
Other Identifier(s):(MiAaPQ)AAI9996627
Date Available in IDEALS:2015-09-25
Date Deposited:2001


This item appears in the following Collection(s)

Item Statistics