Related papers: Finite size errors in quantum many-body simulation…
Extended solids are frequently simulated as finite systems with periodic boundary conditions, which due to the long-range nature of the Coulomb interaction may lead to slowly decaying finite- size errors. In the case of Quantum-Monte-Carlo…
We analyze the problem of eliminating finite-size errors from quantum Monte Carlo (QMC) energy data. We demonstrate that both (i) adding a recently proposed [S. Chiesa et al., Phys. Rev. Lett. 97, 076404 (2006)] finite-size correction to…
We consider the many-body dynamics of fermions with Coulomb interaction in a mean-field scaling limit where the kinetic and potential energy are of the same order for large particle numbers. In the considered limit the spatial variation of…
We discuss the origin of the finite size error of the energy in many-body simulation of systems of charged particles and we propose a correction based on the random phase approximation at long wave lengths. The correction comes from…
Efficiently simulating many-body quantum systems with Coulomb interactions is a fundamental question in quantum physics, quantum chemistry, and quantum computing, yet it presents unique challenges: the Hamiltonian is an unbounded operator…
The interaction and exchange-correlation contributions to the ground-state energy of an arbitrary many-electron system can be obtained from a spherical average of the wavevector-dependent diagonal structure factor (SF). We model the…
We present a fully self-consistent computational framework composed by Hartree-Fock plus ran- dom phase approximation where the spin-orbit and Coulomb terms of the interaction are included in both steps of the calculations. We study the…
The persistent current in three-dimensional mesoscopic rings is investigated numerically. The model is tight-binding one with random site-energies and interaction between electrons. The self-consistent Hartree-Fock approximation is adopted…
We analyzed the Hartree-Fock approximation for an electron system. The interaction between particles is modeled by a non-Coulombian potential. We analyzed both the three-dimensional and two-dimensional systems. We obtained accurate…
\textit{Ab initio} quantum Monte Carlo (QMC) methods in principle allow for the calculation of exact properties of correlated many-electron systems, but are in general limited to the simulation of a finite number of electrons $N$ in…
The persistent current in three-dimensional mesoscopic rings is investigated numerically. The model is tight-binding one with random site-energies and interaction between electrons. The Hartree-Fock approximation is adopted for the…
We introduce a quantum Monte Carlo method at finite temperature for interacting fermionic models in the canonical ensemble, where the conservation of the particle number is enforced. Although general thermodynamic arguments ensure the…
We study the relationship between universal effects and the Coulomb interaction. Here, we present our approach and a first illustrative example. Understanding the relationship of universality and the Coulomb interaction is important for…
Large ensembles of points with Coulomb interactions arise in various settings of condensed matter physics, classical and quantum mechanics, statistical mechanics, random matrices and even approximation theory, and give rise to a variety of…
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…
To account for the interference effects of the Coulomb and exchange interactions of electrons a new path integral representation of the density matrix has been developed in the canonical ensemble at finite temperatures. The developed…
We introduce a generic approach to study interaction effects in diffusive or chaotic quantum dots in the Coulomb blockade regime. The randomness of the single-particle wave functions induces randomness in the two-body interaction matrix…
Model Hamiltonians with long-range interaction yield energies that are corrected taking into account the universal behavior of the electron-electron interaction at short range. Although the intention of the paper is to explore the…
Concentrating on zero temperature Quantum Monte Carlo calculations of electronic systems, we give a general description of the theory of finite size extrapolations of energies to the thermodynamic limit based on one and two-body correlation…
The influence of periodic boundary conditions (implicit finite-size effects) on the anisotropy of pair correlations in computer simulations is studied for a dense classical fluid of pair-wise interacting krypton atoms near the triple point.…