Director of Research (if dissertation) or Advisor (if thesis)
Makri, Nancy
Doctoral Committee Chair(s)
Martin Gruebele
Committee Member(s)
Makri, Nancy
Aksimentiev, Aleksei
Stack, John D.
Department of Study
Physics
Discipline
Physics
Degree Granting Institution
University of Illinois at Urbana-Champaign
Degree Name
Ph.D.
Degree Level
Dissertation
Keyword(s)
Monte Carlo methods
Quantum dynamics
Iterative methods
Path integrals
Abstract
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.
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