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...
| Veröffentlicht in: | Journal of synchrotron radiation. - 1994. - 25(2018), Pt 5 vom: 01. Sept., Seite 1600-1608 |
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| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2018
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| Zugriff auf das übergeordnete Werk: | Journal of synchrotron radiation |
| Schlagworte: | Journal Article X-ray spectroscopy electronic structure multiplet simulations valence excited states |
| Online verfügbar |
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