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Final State Projection Method in Charge-Transfer Multiplet Calculations: An analysis of Ti L-edge Absorption Spectra
A projection method to determine the final state configuration character of all peaks in a charge transfer multiplet calculation of a 2p X-ray absorption spectrum is presented using a d(0) system as an example. The projection method is used to identify the most important influences on spectral shape...
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| Publicado no: | J Phys Chem B |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4779055/ https://ncbi.nlm.nih.gov/pubmed/26226507 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.5b04133 |
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