Related papers: Notes on the Fast Multipole Method
We numerically calculate the energy and momentum transfer rates due to Coulomb scattering between two fluids moving with a relative velocity. The results are fitted by simple functions. The fitting formulae are useful to simulate outflows…
We apply the ideas of effective field theory to nonrelativistic quantum mechanics. Utilizing an artificial boundary of ignorance as a calculational tool, we develop the effective theory using boundary conditions to encode short-ranged…
This paper presents a grid-free simulation algorithm for the fully three-dimensional Vlasov--Poisson system for collisionless electron plasmas. We employ a standard particle method for the numerical approximation of the distribution…
We study the behaviour of total-energy supercell calculations for dipolar molecules and charged clusters. Using a cutoff Coulomb interaction within the framework of a plane-wave basis set formalism, with all other aspects of the method…
A number of problems arise when long-range forces, such as those governed by Bessel functions, are used in particle-particle simulations. If a simple cut-off for the interaction is used, the system may find an equilibrium configuration at…
Multipole expansions depend on the coordinate system, so that coefficients of multipole moments can be set equal to zero by an appropriate choice of coordinates. Therefore, it is meaningless to say that a physical system has a nonvanishing…
We present a natural orbital-based implementation of the intermediate Hamiltonian Fock space coupled-cluster method for (1,1) sector of Fock space. The use of natural orbital significantly reduces the computational cost and can…
We address the steady-state behavior of a system consisting of several correlated monoatomic layers sandwiched between two metallic leads under the influence of a bias voltage. In particular, we investigate the effect of the local Hubbard…
We review a family of local algorithms that permit the simulation of charged particles with purely local dynamics. Molecular dynamics formulations lead to discretizations similar to those of ``particle in cell'' methods in plasma physics.…
In this paper, we present a quantum-field-theoretical description of the interaction between stationary and localized external sources linearly coupled to bosonic fields (specifically, we study models with a scalar and the Maxwell field).…
We present an efficient algorithm for computing the exact exchange contributions in the Hartree-Fock and hybrid density functional theory models on the basis of the fast multipole method (FMM). Our algorithm is based on the observation that…
Charged-defect calculation using a periodic supercell is a significant class of problems in solid state physics. However, the finite supercell size induces an undesirable long-range image charge Coulomb interaction. Although a variety of…
This article describes nonequilibrium techniques for the calculation of free energies of solids using molecular dynamics (MD) simulations. These methods provide an alternative to standard equilibrium thermodynamic integration methods and…
Based on the analysis of biquaternion quadratic forms of field, it is shown that Maxwell equations arise as a consequence of the principle of conservation of the energy-momentum flow of field in space-time. It turns out that this principle…
An effective method based on Hubbard-Schofield approach [Phys. Lett. A {\bf 40}, 245 (1972)] is developed to calculate the free energy of classical Coulomb systems. This method significantly simplifies the derivation of the cluster…
Artifacts arise in the simulations of electrolytes using periodic boundary conditions (PBC). We show the origin of these artifacts are the periodic image charges and the constraint of charge neutrality inside the simulation box, both of…
Two-dimensional Born-Infeld electrostatic fields behaving as the superposition of two point-like charges in the linearized (Maxwellian) limit are worked out by means of a non-holomorphic mapping of the complex plane. The changes underwent…
The free energy of ion solvation can be decomposed into enthalpic and entropic contributions. This helps to understand the connection between the dielectric properties and the underlying forces. We present a simple linear-response model of…
We analyse the complexity of computing class polynomials, that are an important ingredient for CM constructions of elliptic curves, via complex floating point approximations of their roots. The heart of the algorithm is the evaluation of…
With appropriate gauge transformations, field can replace electric charge in quarks. Classical quarks, in a necessary non-gauge invariant formulation, are used for illustration, bringing to the fore the limitations of the usual electric…