Quantum Monte Carlo Calculations of the Energy of the Relativistic Homogeneous Electron Gas

S. D. Kenny; G. Rajagopal; R. J. Needs; W.-K. Leung; M. J. Godfrey; A. J. Williamson; W. M. C. Foulkes

doi:10.1103/PhysRevLett.77.1099

Quantum Monte Carlo Calculations of the Energy of the Relativistic Homogeneous Electron Gas

S. D. Kenny, G. Rajagopal, R. J. Needs, W.-K. Leung, M. J. Godfrey, A. J. Williamson, and W. M. C. Foulkes

Phys. Rev. Lett. 77, 1099 – Published 5 August 1996

Abstract

The ground state energy of the unpolarized homogeneous electron gas at zero temperature is calculated within the density range $r_{s} = 0.1 - 10$ , incorporating relativistic effects via first-order perturbation theory. Accurate nonrelativistic wave functions and variational and diffusion quantum Monte Carlo techniques are used to calculate the required expectation values.

Received 1 May 1996

DOI:https://doi.org/10.1103/PhysRevLett.77.1099

Authors & Affiliations

S. D. Kenny¹, G. Rajagopal¹, R. J. Needs¹, W.-K. Leung¹, M. J. Godfrey², A. J. Williamson¹, and W. M. C. Foulkes³

¹Cavendish Laboratory, Madingley Road, Cambridge CB3 0HE, United Kingdom
²Department of Physics, University of Manchester Institute of Science and Technology, P.O. Box 88, Manchester M60 1QD, United Kingdom
³The Blackett Laboratory, Imperial College of Science, Technology and Medicine, Prince Consort Road, London SW7 2BZ, United Kingdom