相关论文: The Coupled Electron-Ion Monte Carlo Method

Some recent theoretical results on coherent electromagnetic processes in ultrarelativistic heavy ion reactions are surveyed.

Computational codes based on the Diffusion Monte Carlo method can be used to determine the quantum state of two-electron systems confined by external potentials of various nature and geometry. In this work, we show how the application of…

Droplet nucleation and evaporation are ubiquitous in nature and many technological applications, such as phase-change cooling and boiling heat transfer. So far, the description of these phenomena at the molecular scale has posed challenges…

We develop generalization of the fixed-phase diffusion Monte Carlo method for Hamiltonians which explicitly depend on particle spins such as for spin-orbit interactions. The method is formulated in zero variance manner and is similar to…

The interaction between a single hole and a two-dimensional, paramagnetic, homogeneous electron gas is studied using diffusion quantum Monte Carlo simulations. Calculations of the electron-hole correlation energy, pair-correlation function,…

This article aims to summarize recent and ongoing efforts to simulate continuous-variable quantum systems using flow-based variational quantum Monte Carlo techniques, focusing for pedagogical purposes on the example of bosons in the field…

Using previous experimental data of diffusion in metallic alloys, we obtain real values for an interpolation parameter introduced in a mean-field theory for diffusion with interaction. Values of order 1 were found as expected, finding…

We report the observation, in Monte Carlo simulations, of a novel type of quantum ordered state: {\it the metallic superfluid}. The metallic superfluid features ohmic resistance to counter-flows of protons and electrons, while featuring…

The method of Monte Carlo configuration interaction (MCCI) [1,2] is applied to the calculation of multipole moments. We look at the ground and excited state dipole moments in carbon monoxide. We then consider the dipole of NO, the…

An improved real-time quantum Monte Carlo procedure is presented and applied to describe the electronic transfer dynamics along molecular chains. The model consists of discrete electronic sites coupled to a thermal environment which is…

Several physics methods for the simulation of the photoelectric effect are quantitatively evaluated with respect to a large collection of experimental data retrieved from the literature. They include theoretical and empirical calculations…

The variational Monte Carlo method is applied to investigate the ground state energy of the lithium atom and its ions up to Z=10 in the presence of an external magnetic field regime with {\gamma}=0 ~ 100 a.u. Our calculations are based on…

The Large Hadron Electron Collider (LHeC) project is the proposal to use the existing LHC proton/ion beams and construct a new electron beam line to perform high-energy electron-proton/ion collisions. In this talk, we consider some of the…

A variational approach, based on a discrete representation of the chain, is used to calculate free energy and conformational properties in polyelectrolytes. The true bond and Coulomb potentials are approximated by a trial isotropic harmonic…

The dynamics of the approach to equilibrium of the hydrogen atom is investigated numerically through a Monte Carlo procedure. We show that, before approaching ionization, the hydrogen atom may live in a quasi-equilibrium state,…

The results of analytical approximations and extensive calculations based on a path integral Monte Carlo (PIMC) scheme are presented. A new (direct) PIMC method allows for a correct determination of thermodynamic properties such as energy…

The success of the "Cluster Variation Method" (CVM) in reproducing quite accurately the free energies of Monte Carlo (MC) calculations on Ising models is explained in terms of identifying a cancellation of errors: We show that the CVM…

A numerical study of the energy relaxation and conductivity of the Coulomb glass is presented. The role of many-electron transitions is studied by two complementary methods: a kinetic Monte Carlo algorithm and a master equation in…

World-line quantum Monte Carlo methods are reviewed with an emphasis on breakthroughs made in recent years. In particular, three algorithms -- the loop algorithm, the worm algorithm, and the directed-loop algorithm -- for updating…

We present the results of Phase I of an ongoing review of Monte Carlo tools relevant for low-energy hadronic cross sections. This includes a detailed comparison of Monte Carlo codes for electron-positron scattering into a muon pair, pion…