物理学报2025，Vol.74Issue(24)：73-80,8.DOI:10.7498/aps.74.20251230
He+离子与H2O分子碰撞的单电荷转移截面
Single charge transfer cross sections of He+-H2O collisions
摘要
Abstract
The charge transfer cross sections of collisions between He ions in the solar wind and H2O molecule constitute essential data required for the astrophysical plasma modeling.However,experimental measurements of single charge transfer(SCT)cross sections for He+-H2O collisions at low-to-intermediate energies(corresponding to the velocity range of the solar wind)are extremely scarce,and first-priciple theoretical calculations have not been conducted.In this study,employing the time-dependent density functional theory nonadiabatically coupled with the molecular dynamics,the SCT cross sections are calculated for He+-H2O collisions over a broad energy range of 1.33-1800 keV.An inverse collision framework is used to investigate the charge transfer dynamics and electron-ion coupling processes.It is found that the SCT cross section exhibits a strong dependence on the molecular orientation.Furthermore,there are significant differences in the contributions of different molecular orientations to the cross section between low-energy and high-energy regions.The computed cross section results show good agreement with the existing data obtained from experiments and classical theoretical models.This indicates that the present theoretical method and numerical framework are not only applicable to handling the charge transfer processes in collisions between dressed ions and molecules but also enable the quantitative analysis of the effect of molecular orientation on the cross section.This study lays a foundation for cross section calculations of complex collision systems.The datasets presented in this paper are openly available at https://doi.org/10.57760/sciencedb.j00213.00193.关键词
含时密度泛函理论/离子碰撞/电荷转移/非裸核离子Key words
time-dependent density-functional theory/ion collision/charge transfer/dressed ion引用本文复制引用
张煜,朱亚衍,祁月盈,屈一至,于皖东..He+离子与H2O分子碰撞的单电荷转移截面[J].物理学报,2025,74(24):73-80,8.基金项目
国家自然科学基金(批准号:12104185,12104019,12374229,U2430208)、嘉兴市青年科技人才专项(批准号:2024AY40007)和南京邮电大学引进人才自然科学研究启动基金(批准号:NY223203)资助的课题. Project supported by the National Natural Science Foundation of China(Grant Nos.12104185,12104019,12374229,U2430208),the Jiaxing Young Sci-Tech Talent Special Program,China(Grant No.2024AY40007),and the Natural Science Research Start-up Foundation of Recruiting Talents of Nanjing University of Posts and Telecommunications,China(Grant No.NY223203). （批准号:12104185,12104019,12374229,U2430208）
