Ab initio calculation of transition rates for autoionization: the Auger spectra of HF and F−
| Autor: | B. Schimmelpfennig, Sigrid D. Peyerimhoff, Bernd M. Nestmann |
|---|---|
| Rok vydání: | 1995 |
| Předmět: |
Auger electron spectroscopy
Radiation Scattering Chemistry Ab initio Configuration interaction Condensed Matter Physics Molecular physics Atomic and Molecular Physics and Optics Electronic Optical and Magnetic Materials Autoionization Bound state Physics::Atomic and Molecular Clusters Physics::Atomic Physics Scattering theory Physical and Theoretical Chemistry Atomic physics Wave function Spectroscopy |
| Zdroj: | Journal of Electron Spectroscopy and Related Phenomena. 74:173-186 |
| ISSN: | 0368-2048 |
| DOI: | 10.1016/0368-2048(95)02373-9 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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