Multireference Approach to Normal and Resonant Auger Spectra Based on the One-Center Approximation

[Image: see text] A methodology to calculate the decay rates of normal and resonant Auger processes in atoms and molecules based on the One-Center Approximation (OCA), using atomic radial Auger integrals, is implemented within the restricted-active-space self-consistent-field (RASSCF) and the multis...

Descripción completa

Detalles Bibliográficos
Autores principales: Tenorio, Bruno Nunes Cabral, Voß, Torben Arne, Bokarev, Sergey I., Decleva, Piero, Coriani, Sonia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9281372/
https://www.ncbi.nlm.nih.gov/pubmed/35737643
http://dx.doi.org/10.1021/acs.jctc.2c00252

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9281372/
https://www.ncbi.nlm.nih.gov/pubmed/35737643
http://dx.doi.org/10.1021/acs.jctc.2c00252

Ejemplares similares