Related papers: Convergence Analysis of the Wolf Method for Coulom…
We extend the Wolff algorithm to include correlated spin interactions in diluted magnetic systems. This algorithm is applied to study the site-bond-correlated Ising model on a two dimensional square lattice. We use a finite size scaling…
We present in detail two variants of the lattice Monte Carlo method aimed at tackling systems in external trapping potentials: a uniform-lattice approach with hard-wall boundary conditions, and a non-uniform Gauss-Hermite lattice approach.…
The problem of energy conservation in the lattice Boltzmann method is solved. A novel model with energy conservation is derived from Boltzmann's kinetic theory. It is demonstrated that the full thermo-hydrodynamics pertinent to the…
In this paper we study a general theoretical framework which allows to approximate the real space Ewald sum by means of effective force shifted screened potentials, together with a self term. Using this strategy it is possible to generalize…
We show that, when a single relaxation time lattice Boltzmann algorithm is used to solve the hydrodynamic equations of a binary fluid for which the two components have different viscosities, strong spurious velocities in the steady state…
We introduce an approach to derive realistic Coulomb interaction terms in free standing layered materials and vertical heterostructures from ab-initio modelling of the corresponding bulk materials. To this end, we establish a combination of…
We analyze the convergence properties of the Wang-Landau algorithm. This sampling method belongs to the general class of adaptive importance sampling strategies which use the free energy along a chosen reaction coordinate as a bias. Such…
We study the long time behavior of light particles, e.g. an electron swarm in which Coulomb interactions are unimportant, subjected to an external field and elastic collisions with an inert neutral gas. The time evolution of the velocity…
We analyze the pressure and density equations of state of unpolarized non-relativistic fermions at finite temperature in one spatial dimension. For attractively interacting regimes, we perform a third-order lattice perturbation theory…
Theoretical estimates for the cutoff errors in the Ewald summation method for dipolar systems are derived. Absolute errors in the total energy, forces and torques, both for the real and reciprocal space parts, are considered. The…
In this article we investigate on the convergence of the natural iteration method, a numerical procedure widely employed in the statistical mechanics of lattice systems to minimize Kikuchi's cluster variational free energies. We discuss a…
The standard perturbative weak-coupling expansions in lattice models are asymptotic. The reason for this is hidden in the incorrect interchange of the summation and integration. However, substituting the Gaussian initial approximation of…
We present a highly efficient lattice Boltzmann (LB) kinetic model for thermal liquid-vapor system. Three key components are as beow: (i) a discrete velocity model by Kataoka \emph{et al.} [Phys. Rev. E \textbf{69}, 035701(R)(2004)]; (ii) a…
We consider a system of three particles, either three identical bosons or two identical fermions plus an impurity, within a three-dimensional isotropic trap interacting via a contact interaction. Using two approaches, one using an infinite…
We present an efficient algorithm for the all-electron periodic Coulomb matrix based on the Ewald summation combined with the Fourier-transformed Coulomb method. The short-range contributions involving compact densities are evaluated in…
We use a coherent Bragg diffraction method to impart an external momentum to ultracold bosonic atoms trapped in a one-dimensional optical lattice. This method is based on the application of a single light pulse, with conditions where…
The effective theory describing infinite mass particles with a given velocity, has a great interest in heavy flavor physics. It has the unpleasant characteristic that the energy spectrum is unbounded from below; this fact is the source of…
Ewald summation and physically equivalent methods such as particle-mesh Ewald, kubic-harmonic expansions, or Lekner sums are commonly used to calculate long-range electrostatic interactions in computer simulations of polar and charged…
We present a systematical method for obtaining analytical long-range embedded-atom potentials based on the lattice-inversion method. The potentials converge faster (exponentially) than Sutton and Chen's power-law potentials (Philos. Mag.…
In this paper, the well-known method of correlation equations for constructing Gibbs measures is generalized based on the concept of the transition energy field. Using the properties of transition energies, we obtain the system of…