Orientation effects in ion-molecule collisions

30th International Conference on Photonic, Electronic, and Atomic Collisions

Rabadán, Ismanuel^1 ; Méndez, L.^1

Laboratorio Asociado Al CIEMAT de Fisica Atómica y Molecular en Plasmas de Fusión., Departamento de Química, Universidad Autónoma de Madrid, módulo 13, Cantoblanco, Madrid

E-28049, Spain^1

关键词: Charge transfer process;    Electronic energies;    Full configuration interaction;    Ion-molecule collisions;    Non-adiabatic coupling;    Orientation effect;    Proton collisions;    Target molecule;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/875/2/012009/pdf
DOI  :  10.1088/1742-6596/875/2/012009

来源: IOP

【 摘 要 】

The charge transfer process is studied in proton collisions with BeH. Given the anisotropy of the target molecule, two approaches are considered, and compared, in order to calculate orientation-averaged cross sections. The necessary molecular data (electronic energies and non-adiabatic couplings) are obtained from full configuration-interaction wavefunctions.