Abstract
A method for the quantitative computation angular integrated molecular Auger spectra is proposed. It combines quantum chemistry procedures for the description of the bound states involved with scattering theory for the representation of the scattering states. The bound states are described by configuration-interaction (CI) wavefunctions; the scattering problem is solved by a Green operator formalism. The method is illustrated by computing the Auger spectra of hydrogen fluoride and because we want to investigate the molecular effects, the isoelectronic fluoride ion.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callMore From: Journal of Electron Spectroscopy and Related Phenomena
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
