Released-phase quantum Monte Carlo method

Matthew D. Jones, Gerardo Ortiz, and David M. Ceperley
Phys. Rev. E 55, 6202 – Published 1 May 1997
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Abstract

The correlation function Monte Carlo method for calculating ground and excited state properties is extended to complex Hamiltonians and used to calculate the spectrum of neutral helium in a wide range of magnetic fields, a system of particular interest in astrophysics. Correlation functions in imaginary time are evaluated for a set of trial functions over a random walk whose dynamics is governed by the imaginary-time Schrödinger equation. Estimates of the exact energy spectrum and other expectations are made by diagonalizing the matrix of correlation functions. Using the exact results of this ``released-phase'' Monte Carlo approach, we assess the accuracy of the fixed-phase quantum Monte Carlo and Hartree-Fock methods for the helium atom in strong magnetic fields.

  • Received 18 November 1996

DOI:https://doi.org/10.1103/PhysRevE.55.6202

©1997 American Physical Society

Authors & Affiliations

Matthew D. Jones, Gerardo Ortiz, and David M. Ceperley

  • 1National Center for Supercomputing Applications, University of Illinois at Urbana-Champaign, 1110 West Green Street,
  • 2Department of Physics, University of Illinois at Urbana-Champaign, 1110 West Green Street, Urbana, Illinois 61801

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Issue

Vol. 55, Iss. 5 — May 1997

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