Radial distribution function in a diffusion Monte Carlo simulation of a Fermion fluid between the ideal gas and the Jellium model
Dipartimento di Scienze dei Materiali e Nanosistemi,
Università Ca’ Foscari Venezia, Calle Larga S. Marta DD2137, 30123
Received in final form: 19 April 2013
Published online: 24 June 2013
We study, through the diffusion Monte Carlo method, a spin one-half fermion fluid, in the three dimensional Euclidean space, at zero temperature. The point particles, immersed in a uniform “neutralizing” background, interact with a pair-potential which can be continuously changed from zero to the Coulomb potential depending on a parameter μ. We determine the radial distribution functions of the system for various values of density, μ, and polarization. We discuss about the importance, in a computer experiment, of the choice of suitable estimators to measure a physical quantity. The radial distribution function is determined through the usual histrogram estimator and through an estimator determined via the use of the Hellmann and Feynman theorem. In a diffusion Monte Carlo simulation the latter route introduces a new bias to the measure of the radial distribution function due to the choice of the auxiliary function. This bias is independent from the usual one due to the choice of the trial wavefunction. A brief account of the results from this study were presented in a recent communication [R. Fantoni, Solid State Commun. 159, 106 (2013)].
Key words: Computational Methods
© EDP Sciences, Società Italiana di Fisica and Springer-Verlag, 2013