Ionization cross sections in collisions between two hydrogen atoms by a quasi-classical trajectory Monte Carlo model

Literature Information

Publication Date 2022-06-14
DOI 10.1039/D2CP00461E
Impact Factor 3.676
Authors

K. Tőkési


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Abstract

The hydrogen-hydrogen collision system is studied employing a four-body quasi-classical trajectory Monte Carlo model of Kirschbaum and Wilets (QCTMC-KW, C. L. Kirschbaun and L. Wilet, Phys. Rev. A: At., Mol., Opt. Phys., 1980, 21, 834). We present the total ionization cross-section of the target and projectile as a result of pure ionization and electron transfer processes. Calculations were performed in the intermediate energy regime, which is crucial to fusion research. Our results were compared with previous theoretical and experimental results. We found that the quasi-classical approach accurately describes the cross sections of a variety of final channels. We found that the cross-section results by the QCTMC-KW method are higher compared with the standard four-body CTMC results and in good agreement with the experimental data, particularly at low energies.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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