Classical Trajectory and Monte Carlo Techniques


The Classical Trajectory Monte Carlo (CTMC) Method Originated with Hirschfelder, Who Studied the H + D2 Exchange Reaction using A Mechanical Calculator 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 (E.g., Karplus Et Al. 2 ). for Atomic Physics Problems, A Major Step Was Introduced by Abrines and Percival 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 4. the CTMC Method Has A Wide Range of Applicability to Strongly Coupled Systems, Such as Collisions by Multiply Charged Ions 5. in Such Systems, Perturbation Methods Fail, and Basis Set Limitations of Coupled-Channel Molecular-Orbital and Atomic-Orbital Techniques Have Difficulty in Representing the Multitude of Active Excitation, Electron Capture, and Ionization Channels.



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


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Publication Date

01 Jan 2023