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

[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.

[发布机构] 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