Ionization and Single and Double Electron Capture in Proton-Ar Collisions.

Area of Science:

• Atomic and Molecular Physics
• Collision Physics
• Quantum Chemistry

Background:

• Understanding ion-atom collisions is essential for plasma physics and materials science.
• Accurate cross-section data is needed for modeling and simulation.

Purpose of the Study:

• To calculate total cross sections for H and H- formation and electron production in H+ + Ar collisions.
• To compare results from two distinct computational methods across different energy regimes.

Main Methods:

• Semiclassical treatment with electronic wave function expansion for E < 10 keV.
• Switching-classical-trajectory-Monte Carlo (s-CTMC) method for E > 10 keV.
• Block-diagonalization technique for calculating molecular autoionizing states.

Main Results:

• The s-CTMC method accurately predicted H- formation cross sections, aligning well with experimental data.
• Both methods yielded good agreement with experimental data for electron and H- production cross sections.
• Calculations covered a wide energy range from 100 eV to 200 keV.

Conclusions:

• The employed computational methods provide reliable cross-section data for H+ + Ar collisions.
• The study validates the use of semiclassical and s-CTMC methods for ion-atom collision research.
• Accurate cross-section data is crucial for advancing the understanding of atomic and molecular processes in collisions.