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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...
Autores principales: | Tenorio, Bruno Nunes Cabral, Voß, Torben Arne, Bokarev, Sergey I., Decleva, Piero, Coriani, Sonia |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
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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 |
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