In this work, we introduce a classical trajectory Monte Carlo (CTMC) methodology, specially conceived to provide a more accurate representation of charge-exchange processes between highly charged ions and H(1s) and H* (n=2). These processes are of particular relevance in power fusion reactor programs, for which charge-exchange spectroscopy has become a useful plasma diagnostics tool. To test the methodology, electron-capture reactions from these targets by C6+,N7+, and O8+ are studied at impact energies in the 10-150keV/amu range. State-selective cross sections are contrasted with those predicted by the standard microcanonical formulation of the CTMC method, the CTMC method with an energy variation of initial binding energies that produces an improved radial electron density, and the atomic orbital close-coupling method. The present results are found in to be much better agreement with the quantum-mechanical results than the results of former formulations of the CTMC method.
N. D. Cariatore et al., "Classical Description of H(1s) and H* (n=2) for Cross-Section Calculations Relevant to Charge-Exchange Diagnostics," Physical Review A - Atomic, Molecular, and Optical Physics, vol. 91, no. 4, American Physical Society (APS), Apr 2015.
The definitive version is available at https://doi.org/10.1103/PhysRevA.91.042709
Center for High Performance Computing Research
Keywords and Phrases
Binding Energy; Charge Transfer; Plasma Diagnostics; Quantum Chemistry; Quantum Theory; Charge Exchange Process; Charge Exchange Spectroscopy; Classical Trajectory Monte Carlo; Close-Coupling Method; Energy Variations; Highly Charged Ions; Quantum Mechanical; Radial Electron Density; Program Diagnostics
International Standard Serial Number (ISSN)
Article - Journal
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