Unbiased estimators in quantum Monte Carlo methods: Application to liquid He4

J. Casulleras and J. Boronat
Phys. Rev. B 52, 3654 – Published 1 August 1995
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Abstract

A Monte Carlo algorithm for computing quantum-mechanical expectation values of coordinate operators in many-body problems is presented. The algorithm, which relies on the forward walking method, fits naturally in a Green’s function Monte Carlo calculation, i.e., it does not require side walks or a bilinear sampling method. Our method evidences stability regions large enough to accurately sample unbiased pure expectation values. The proposed algorithm yields accurate results when it is applied to test problems such as the hydrogen atom and the hydrogen molecule. An excellent description of several properties of a fully many-body problem such as liquid He4 at zero temperature is achieved.

  • Received 25 April 1995

DOI:https://doi.org/10.1103/PhysRevB.52.3654

©1995 American Physical Society

Authors & Affiliations

J. Casulleras and J. Boronat

  • Departament de Física i Enginyeria Nuclear, Campus Nord B4-B5, Universitat Politècnica de Catalunya, E-08028 Barcelona, Spain

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Vol. 52, Iss. 5 — 1 August 1995

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