Path-integral diffusion Monte Carlo: Calculation of observables of many-body systems in the ground state

Balázs Hetényi*, Eran Rabani, B. J. Berne

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

19 Scopus citations

Abstract

We propose a new method to calculate ground state position dependent observables in quantum many-body systems. The method, which we call the path-integral diffusion Monte Carlo (PI-DMC) method, is essentially a combination of path-integral Monte Carlo (PIMC) and diffusion Monte Carlo (DMC) methods. The distribution resulting from a DMC simulation is further propagated in imaginary time by PIMC sampling. Tests of the new method for simple cases such as the harmonic oscillator, a double well, and a set of ten coupled harmonic oscillators show that the results for several observables converge rapidly to the exact result.

Original languageEnglish
Pages (from-to)6143-6153
Number of pages11
JournalJournal of Chemical Physics
Volume110
Issue number13
DOIs
StatePublished - 1 Apr 1999
Externally publishedYes

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