Hellmann and Feynman theorem versus diffusion Monte Carlo experiment

In a computer experiment the choice of suitable estimators to measure a physical quantity plays an important role. We propose a new direct route to determine estimators for observables which do not commute with the Hamiltonian. Our new route makes use of the Hellmann and Feynman theorem and in a diffusion Monte Carlo simulation it introduces a new bias to the measure due to the choice of the auxiliary function. This bias is independent from the usual one due to the choice of the trial wave function. We used our route to measure the radial distribution function of a spin one half Fermion fluid.Comment: 7 pages, 1 figure, 1 tabl

One-component fermion plasma on a sphere at finite temperature

We study through a computer experiment, using the restricted path integral Monte Carlo method, a one-component fermion plasma on a sphere at finite, non-zero, temperature. We extract thermodynamic properties like the kinetic and internal energy per particle and structural properties like the radial distribution function. This study could be relevant for the characterization and better understanding of the electronic properties of hollow graphene spheres.Comment: 8 pages, 3 figures, and 1 tabl

Variational Methods for Nuclear Systems with Dynamical Mesons

We derive a model Hamiltonian whose ground state expectation value of any two-body operator coincides with that obtained with the Jastrow correlated wave function of the many-body Fermi system. Using this Hamiltonian we show that the variational principle can be extended to treat systems with dynamical mesons, even if in this case the concept of wave function looses its meaning

Fourth moment sum rule for the charge correlations of a two-component classical plasma

We consider an ionic fluid made with two species of mobile particles carrying either a positive or a negative charge. We derive a sum rule for the fourth moment of equilibrium charge correlations. Our method relies on the study of the system response to the potential created by a weak external charge distribution with slow spatial variations. The induced particle densities, and the resulting induced charge density, are then computed within density functional theory, where the free energy is expanded in powers of the density gradients. The comparison with the predictions of linear response theory provides a thermodynamical expression for the fourth moment of charge correlations, which involves the isothermal compressibility as well as suitably defined partial compressibilities. The familiar Stillinger-Lovett condition is also recovered as a by-product of our method, suggesting that the fourth moment sum rule should hold in any conducting phase. This is explicitly checked in the low density regime, within the Abe-Meeron diagrammatical expansions. Beyond its own interest, the fourth-moment sum rule should be useful for both analyzing and understanding recently observed behaviours near the ionic critical point

Nonadditive hard-sphere fluid mixtures: A simple analytical theory

We construct a non-perturbative fully analytical approximation for the thermodynamics and the structure of nonadditive hard-sphere fluid mixtures. The method essentially lies in a heuristic extension of the Percus-Yevick solution for additive hard spheres. Extensive comparison with Monte Carlo simulation data shows a generally good agreement, especially in the case of like-like radial distribution functions.Comment: 19 pages, 13 figures, 3 tables; v2: minor changes, supplemental materia