Topic
Dynamic Monte Carlo method
About: Dynamic Monte Carlo method is a research topic. Over the lifetime, 13294 publications have been published within this topic receiving 371256 citations.
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TL;DR: In this article, a Monte Carlo algorithm is proposed to expand a CI expansion by randomly including new terms which interact with those terms already present in the expansion, and a solution of the variational problem is then performed for these randomly chosen configurations and a selection criterium for the resulting CI coefficients is applied.
Abstract: Full configuration interaction (FCI) calculations are useful as benchmarks for approximate techniques used in quantum chemistry: they are indeed the desired goal for all energy and wave function calculations in that they are the best solution to the Schrodinger equation within a finite basis Ansatz. Application of the method is limited due to the rapid increase in the number of configurations as the basis set size is increased. Many means have been applied to limit the number of terms in the expansion with the best known method being the singles and doubles expansion CI(SD). A Monte Carlo algorithm is proposed here whereby a CI expansion is allowed to expand by randomly including new terms which interact with those terms already present in the expansion. Solution of the variational problem is then performed for these randomly chosen configurations and a selection criterium for the resulting CI coefficients is applied. Repeated application of this method allows for estimates of the FCI energy. Calculations...
100 citations
01 Jan 2001
TL;DR: A Monte Carlo method for nonlinear non-Gaussian filtering and smoothing and its application to self-organising state-space models are shown in this paper.
Abstract: A Monte Carlo method for nonlinear non-Gaussian filtering and smoothing and its application to self-organising state-space models are shown in this paper.
100 citations
TL;DR: Following a methodology widely used for the vapour phase, this work succeeded in parametrizing the dielectric cross-sections of the liquid in accordance with the Bethe asymptote, thus providing a unified approach for both phases of water and greatly facilitating the computations.
Abstract: A Monte Carlo code that performs detailed (i.e. event-by-event) simulation of the transport and energy loss of low-energy electrons (~50–10000 eV) in water in the liquid phase is presented. The inelastic model for energy loss is based on a semi-empirical dielectric-response function for the valence-shells of the liquid whereas an exchange corrected semi-classical formula was used for K-shell ionization. Following a methodology widely used for the vapour phase, we succeeded in parametrizing the dielectric cross-sections of the liquid in accordance with the Bethe asymptote, thus providing a unified approach for both phases of water and greatly facilitating the computations. Born-corrections at lower energies have been implemented in terms of a second-order perturbation term with a simple Coulomb-field correction and the use of a Mott-type exchange modification. Angular deflections were determined by empirical schemes established from vapour data. Electron tracks generated by the code were used to calculate energy- and interaction-point-kernel distributions at low electron energies in liquid water. The effect of various model assumptions (e.g., dispersion, Born-corrections, phase) on both the single-collision and slowing-down distributions is examined.
100 citations
TL;DR: In this article, a review of Monte Carlo methods for many-body systems is presented, with a particular emphasis on problems illustrating general progress in the implementation of the method and in the analysis of the results.
100 citations