Related papers: MMM2D: A fast and accurate summation method for el…
Efficient Monte Carlo (MC) sampling of many-body systems with long-range electrostatics is often limited by the cost of per-move energy-difference evaluation under periodic boundary conditions. We present DMK-MC, an accelerated MC method…
Variational methods are used to calculate structural and thermodynamical properties of a titrating polyelectrolyte in a discrete representation. The Coulomb interactions are emulated by harmonic repulsive forces, the force constants being…
Based on the recently developed resummation-based quantum Monte Carlo method for the SU($N$) spin and loop-gas models, we develop a new algorithm, dubbed ResumEE, to compute the entanglement entropy (EE) with greatly enhanced efficiency.…
Kinetic Monte Carlo (KMC) is an important computational tool in physics and chemistry. In contrast to standard Monte Carlo, KMC permits the description of time dependent dynamical processes and is not restricted to systems in equilibrium.…
An efficient real space method is derived for the evaluation of the Madelung's potential of ionic crystals. The proposed method is an extension of the Evjen's method. It takes advantage of a general analysis for the potential convergence in…
Ground state energies and on-site density-density correlations are calculated for the 1-D Hubbard model using a linear combination of the Hubbard projection operators. The mean-field coefficients in the resulting linearized Equations of…
In the last decades, dynamical mean-field theory (DMFT) and its diagrammatic extensions have been successfully applied to describe local and nonlocal correlation effects in correlated electron systems. Unfortunately, except for the exact…
A new approach to derivation of various effective-field approximation for lattice spin models is presented. It is shown that it can give a number of methods, including the DMRG method, that can be used to find generally inhomogeneous…
The model under consideration is an asymmetric two-dimensional Coulomb gas of positively (q_1=+1) and negatively (q_2=-1/2) charged pointlike particles, interacting via a logarithmic potential. This continuous system is stable against…
Using non-equilibrium molecular dynamics simulations, it has been recently demonstrated that water molecules align in response to an imposed temperature gradient, resulting in an effective electric field. Here, we investigate how thermally…
The quasistatic limit of the antiplane shear-wave speed ('effective speed') $c$ in 2D periodic lattices is studied. Two new closed-form estimates of $c$ are derived by employing two different analytical approaches. The first proceeds from a…
Coupled-cluster theory with single and double excitations (CCSD) is a promising ab initio method for the electronic structure of three-dimensional metals, for which second-order perturbation theory (MP2) diverges in the thermodynamic limit.…
We propose an efficient algorithm for the evaluation of the potential and its gradient of gravitational/electrostatic $N$-body systems, which we call particle mesh multipole method (PMMM or PM$^3$). PMMM can be understood both as an…
Describing long-ranged electrostatics using short-ranged pair potentials is appealing since the computational complexity scales linearly with the number of particles. The foundation of this approach is to mimic the long-ranged medium…
We optimize Hockney and Eastwood's Particle-Particle Particle-Mesh (P3M) algorithm to achieve maximal accuracy in the electrostatic energies (instead of forces) in 3D periodic charged systems. To this end we construct an optimal influence…
The effective mass m*, and the Lande g-factor of the uniform 2-D electron fluid (2DEF) are calculated as a function of the spin polarization zeta, and the density parameter r_s, using a non-perturbative analytic approach. Our theory is in…
We present a QCD sum-rule determination of the heavy-quark kinetic energy inside a heavy meson, $-\lambda_1/2 m_Q$, which is consistent with the field-theory analog of the virial theorem. We obtain $-\lambda_1\approx (0.10\pm…
We develop a random batch Ewald (RBE) method for molecular dynamics simulations of particle systems with long-range Coulomb interactions, which achieves an $O(N)$ complexity in each step of simulating the $N$-body systems. The RBE method is…
Achieving accurate numerical results of hydrodynamic loads based on the potential-flow theory is very challenging for structures with sharp edges, due to the singular behavior of the local-flow velocities. In this paper, we introduce the…
Exact calculations are performed on the two-dimensional strongly interacting, unpolarized, uniform Fermi gas with a zero-range attractive interaction. Two auxiliary-field approaches are employed which accelerate the sampling of…