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A Restricted Open Configuration Interaction with Singles Method To Calculate Valence-to-Core Resonant X-ray Emission Spectra: A Case Study
[Image: see text] In this work, a new protocol for the calculation of valence-to-core resonant X-ray emission (VtC RXES) spectra is introduced. The approach is based on the previously developed restricted open configuration interaction with singles (ROCIS) method and its parametrized version, based...
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| Publicado no: | Inorg Chem |
|---|---|
| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American
Chemical Society
2017
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5692824/ https://ncbi.nlm.nih.gov/pubmed/28920680 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.inorgchem.7b01810 |
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