Improved charge transfer multiplet method to simulate M- and L-edge X-ray absorption spectra of metal-centered excited states
Charge transfer multiplet (CTM) theory is a computationally undemanding and highly mature method for simulating the soft X-ray spectra of first-row transition metal complexes. However, CTM theory has seldom been applied to the simulation of excited-state spectra. In this article, the CTM4XAS softwar...
| Publié dans: | Journal of synchrotron radiation. - 1994. - 25(2018), Pt 5 vom: 01. Sept., Seite 1600-1608 |
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| Auteur principal: | |
| Autres auteurs: | , |
| Format: | Article en ligne |
| Langue: | English |
| Publié: |
2018
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| Accès à la collection: | Journal of synchrotron radiation |
| Sujets: | Journal Article X-ray spectroscopy electronic structure multiplet simulations valence excited states |
| Accès en ligne |
Volltext |