Electron scattering from molecular hydrogen in a spheroidal convergent close-coupling formalism

28th International Conference on Photonic, Electronic and Atomic Collisions

Savage, Jeremy S.^1 ; Fursa, Dmitry V.^1 ; Zammit, Mark C.^1 ; Bray, Igor^1

ARC Centre for Antimatter-Matter Studies, Curtin University, GPO Box U1987, Perth

WA

6845, Australia^1

关键词: Ab initio;    Convergent close couplings;    Diatomic molecules;    Molecular hydrogen;    Natural systems;    Prolate spheroidal coordinates;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/488/5/052016/pdf
DOI  :  10.1088/1742-6596/488/5/052016

来源: IOP

【 摘 要 】

Electron scattering from molecules is a fundamental interaction of matter and is the mechanism behind many chemical reactions. In this work we rework the ab initio Convergent Close-Coupling scattering theory into prolate spheroidal coordinates-a natural system for diatomic molecules-to present total, differential, and ionisation cross sections of electron-H2collisions.