Feshbach–Fano approach for calculation of Auger decay rates using equation-of-motion coupled-cluster wave functions. II. Numerical examples and benchmarks

X-ray photon absorption leads to the creation of highly excited species, which often decay through the Auger process. The theoretical treatment of Auger decay is challenging because of the resonance nature of the initial core-excited or core-ionized states and the continuous nature of the ejected el...

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Veröffentlicht in:	The Journal of chemical physics 2021-02, Vol.154 (8), p.084125-084125, Article 084125
Hauptverfasser:	Skomorowski, Wojciech, Krylov, Anna I.
Format:	Artikel
Sprache:	eng
Schlagworte:	Augers Benchmarks Chemistry Chemistry, Physical Clusters Decay rate Mathematical analysis Photon absorption Physical Sciences Physics Physics, Atomic, Molecular & Chemical Plane waves Robustness (mathematics) Science & Technology Wave functions
Online-Zugang:	Volltext
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