Coupled-cluster approach to Coster-Kronig decay and Auger decay in hydrogen sulfide and argon
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arXiv
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| Main Authors: | Drennhaus, Jan Philipp, Ferino-Pérez, Anthuan, Matz, Florian, Jagau, Thomas-C. |
|---|---|
| Format: | Preprint |
| Published: |
2024
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| Subjects: | |
| Online Access: | |
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