Iterative Monte Carlo for quantum dynamics

We present an exact path integral methodology for computing quantum dynamical information. This method combines the concepts of iterative propagation with the features of Monte Carlo sampling. The stepwise evaluation of the path integral circumvents the growth of statistical error with time and the use of importance sampling leads to a favorable scaling of required grid points with the number of particles. Three different Monte Carlo sampling procedures are presented. Time correlation functions for several multi-dimensional model systems are computed and accurate long time dynamics are obtained. In the end, the capabilities and limitations of the method are discussed.

Name thesis:degree_name

Ph.D.

Level thesis:degree_level

Dissertation

Discipline thesis:degree_discipline

Physics

Grantor

University of Illinois at Urbana-Champaign

Year dc:date

2010

Author dc:creator

• Jadhao, Vikram

Contributors dc:contributor

• Makri, Nancy
• Martin Gruebele
• Aksimentiev, Aleksei
• Stack, John D.

• Monte Carlo methods
• Quantum dynamics
• Iterative methods
• Path integrals

Statement dc:rights

• Copyright 2010 Vikram Jadhao

Language dc:language

en

Handle dc:identifier

http://hdl.handle.net/2142/16958

OAI identifier oai:identifier

oai:www.ideals.illinois.edu:2142/16958