2026-10-14T15:46:29Z https://www.scidb.cn/oai

10.57760/sciencedb.j00213.00143 2025-06-23T14:09:35Z

2025-06-23 Theoretical Study of State-Selective Charge Exchange Processes in Collisions between Highly Charged N⁶⁺ Ions and H Atoms doi:10.57760/sciencedb.j00213.00143 en In this work, we systematically investigate the single-electron capture process in N⁶⁺(1s) + H(1s) collisions within the energy range of 0.25–225 keV/u using a two-active-electron semiclassical asymptotic-state close-coupling approach. The electron-electron correlations between the two active electrons are explicitly taken into account in the approach. In the present calculations, a set of 92 GTOs (12 for ℓ = 0, 7 ×3 for ℓ = 1, 4 × 5 for ℓ = 2, 3 × 7 for ℓ = 3, and 2 × 9 for ℓ = 4) is used on the N7+ center, and 19 GTOs (7 for ℓ = 0 and 4 × 3 for ℓ = 1) are located on the H center. The basis sets allow the inclusion of 3126 states and pseudostates [1340 (H, N6+) and 1786 (N5+) states] in the calculations for spin singlet symmetry, and 3107 [1340 (H, N6+) and 1767 (N5+) states] for triplet symmetry. These states can describe elastic, single-electron capture, excitation, as well as ionization. We compute spin-averaged and spin-resolved total cross sections, along with n-resolved and nℓ-resolved partial cross sections. The dataset is organized into three CSV files named according to their contents: Spin-singlet_total_and_state-selective_cross_sections.csv, Spin-triplet_total_and_state-selective_cross_sections.csv, Spin-averaged_total_and_state-selective_cross_sections.csv. Charge transfer; Ion-atom collisions; electron correlations Jiajie NIU Weiwei ZHANG Yueying QI Junwen GAO PUBLIC https://creativecommons.org/licenses/by/4.0/ dataset http://www.doi.org/10.7498/aps.74.20250541 Science Data Bank