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

Lecture notes used as part of a graduate-level Introduction to Solid State Physics course at Cornell University. I attempt to unify and update the discussion of magnetism and superconductivity relative to standard textbook treatments, and…

While recent work towards the development of tight-binding and ab-initio algorithms has focused on molecular dynamics, Monte Carlo methods can often lead to better results with relatively little effort. We present here a multi-step Monte…

We investigate the concatenation of Markov processes. Our primary concern is to utilize processes constructed in this manner for Monte Carlo integration. To enable this using conventional methods, it is essential to demonstrate the Markov…

A recently published correlated electron pseudopotentials (CEPPs) method has been adapted for application to the 3d-transition metals, and to include relativistic effects. New CEPPs are reported for the atoms Sc$-$Fe, constructed from…

We propose a new type of Monte-Carlo method which enables us to study the excited state of many-body systems.

We discuss the theoretical approach and practical algorithms for simulation of radiative events in elastic ep-scattering. A new Monte Carlo generator for real photon emission events in the process of elastic electron-proton scattering is…

This article contains lecture notes on the constrained path Monte Carlo method and its applications to study the Hubbard model. The lectures were given at the NATO Advanced Summer Institute held in Ithaca NY (1998). The article is published…

X-ray reflectivity studies demonstrate the condensation of a monovalent ion at the electrified interface between electrolyte solutions of water and 1,2-dichloroethane. Predictions of the ion distributions by standard Poisson-Boltzmann…

Progress in electrochemical applications of ionic liquids builds on an understanding of electrical double-layer. This computational study focuses on structure-determined quantities -- maximum packing density, potentials and capacitances --…

Methodology is presented for analysis of three-particle correlation functions obtained in heavy ion collisions at ultra-relativistic energies. We show that harmonic correlations can be removed and jet driven correlations reliably extracted.…

We report on the development of a new shell-model Monte Carlo algorithm which uses the proton-neutron formalism. Shell model Monte Carlo methods, within the isospin formulation, have been successfully used in large-scale shell-model…

The role of data libraries as a collaborative tool across Monte Carlo codes is discussed. Some new contributions in this domain are presented; they concern a data library of proton and alpha ionization cross sections, the development in…

The exact and phaseless variants of Auxiliary-Field Quantum Monte Carlo (AFQMC) have been shown to be capable of producing accurate ground-state energies for a wide variety of systems including those which exhibit substantial electron…

Correlated electron systems are among the centerpieces of modern condensed matter sciences, where many interesting physical phenomena, such as metal-insulator transition and high-Tc superconductivity appear. Recent efforts have been focused…

Quantum Monte Carlo methods have proven to be valuable in the study of strongly correlated quantum systems, particularly nuclear physics and cold atomic gases. Historically, such ab initio simulations have been used to study properties of…

We consider a \textit{mass-asymmetric} electron and hole bilayer. Electron and hole Coulomb correlations and electron and hole quantum effects are treated on first princles by path integral Monte Carlo methods. For a fixed layer separation…

Heavy-ion collisions can be simulated by means of comprehensive approaches, to include the many different reaction mechanisms which may contribute. QMD models and their relativistic extensions are examples of these approaches based on Monte…

The diffusion Monte Carlo method with symmetry-based state selection is used to calculate the quantum energy states of H$_2^+$ confined into potential barriers of atomic dimensions (a model for these ions in solids). Special solutions are…

Monte Carlo methods play important part in modern statistical physics. The application of these methods suffer from two main difficulties.The first is caused by the relatively small number of particles that can participate in any numerical…

We consider non-relativistic electron correlation energies of heavy noble gas atoms including the superheavy element Og. The corresponding data enables us to quantify fixed-node errors in real space quantum Monte Carlo methods as a function…