Classical Trajectory and Monte Carlo Techniques

Abstract

electron captureMonte Carlo method forionizationMonte Carlo method forexchange reactionMonte Carlo method forMonte Carlo methodclassical trajectoryclassical trajectory Monte Carlo (CTMC) methodscattering theoryclassical trajectory methodscattering theoryMonte Carlo methodclassical trajectory Monte Carlo (CTMC) method the classical trajectory Monte Carlo (CTMC) method originated with Hirschfelder, who studied the H + D2 exchange reaction using a mechanical calculator [58.1]. with the availability of computers, the CTMC method was actively applied to a large number of chemical systems to determine reaction rates, and final state vibrational and rotational populations (see, e.g., Karplus et al. [58.2]). for atomic physics problems, a major step was introduced by Abrines and Percival [58.3] who employed Kepler's equations and the Bohr-Sommerfield model for atomic hydrogen to investigate electron capture and ionization for intermediate velocity collisions of H+ + H. an excellent description is given by Percival and Richards [58.4]. the CTMC method has a wide range of applicability to strongly-coupled systems, such as collisions by multiply-charged ions [58.5]. in such systems, perturbation methods fail, and basis set limitations of coupled-channel molecular- and atomic-orbital techniques have difficulty in representing the multitude of activeexcitation, electron capture, and ionization channels. Vector- and parallel-processors now allow increasingly detailed study of the dynamics of the heavy projectile and target, along with the active electrons.

Department(s)

Physics

Keywords and Phrases

Angular Scattering; Classical Trajectory Monte Carlo; Differential Cross Section; Electron Capture; Target Nucleus

International Standard Serial Number (ISSN)

2522-8706; 2522-8692

Document Type

Article - Journal

Document Version

Citation

File Type

text

Language(s)

English

Rights

© 2024 Springer, All rights reserved.

Publication Date

01 Jan 2006

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