GPU Implementation of the Feynman Path-Integral Method in Quantum Mechanics
2011
The Path-Integral Formulation of Quantum Mechanics is introduced
along with a detailed mathematical description of how it is
used in quantum computations. The important concept of the kernel
is explained, along with the free particle and harmonic oscillator as
examples. Furthermore, the method for calculating expectation values
of quantum operators is explained.
The expectation values are naturally calculated by importance
sampled Monte Carlo integration and by use of the Metropolis algorithm.
This is due to the discretization of the path integral results
in an integral with a high number of integration variables. The mathematical
concepts of this calculation are explained. Also, a method for
obtaining the probability density of the treated system is presented.
The calculations are performed by a GPU, due to its high capabilities
for numerical operations. This requires the mathematical
computations to be parallelized and is done by use of the free software
PyOpenCL. A thorough introduction to these concepts are given.
The resulting ground state energies and probability densities for
many particle systems interacting with harmonic as well as attractive
and repulsive gaussian potentials are presented. The calculations
worked exceedingly well for many particle systems.
Source code is available at https://sourceforge.net/projects/
feynmangpu/files/
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