Reptation Quantum Monte Carlo
Abstract
We present an elementary and self-contained account of the analogies existing between classical diffusion and the imaginary-time evolution of quantum systems. These analogies are used to develop a new quantum simulation method which allows to calculate the ground-state expectation values of local observables without any mixed estimates nor population-control bias, as well as static and dynamic (in imaginary time) response functions. This method, which we name Reptation Quantum Monte Carlo, is demonstrated with a few case applications to 4He, including the calculation of total and potential energies, static and imaginary-time dependent density response functions, and low-lying excitation energies. Finally, we discuss the relations of our technique with other simulation schemes.
Cite
@article{arxiv.cond-mat/9808213,
title = {Reptation Quantum Monte Carlo},
author = {S. Baroni and S. Moroni},
journal= {arXiv preprint arXiv:cond-mat/9808213},
year = {2007}
}
Comments
29 pages, 6 figures; Proceedings of the NATO ASI Quantum Monte Carlo Methods in Physics and Chemistry, Cornell University, July, 12-25, 1998