CTM4DOC : electronic structure analysis from X-ray spectroscopy
Two electronic structure descriptions, one based on orbitals and the other based on term symbols, have been implemented in a new Matlab-based program, CTM4DOC. The program includes a graphical user interface that allows the user to explore the dependence of details of electronic structure in transit...
Ausführliche Beschreibung
Bibliographische Detailangaben
| Veröffentlicht in: | Journal of synchrotron radiation. - 1994. - 23(2016), Pt 5 vom: 01. Sept., Seite 1264-71
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| 1. Verfasser: |
Delgado-Jaime, Mario Ulises
(VerfasserIn) |
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| Weitere Verfasser: |
Zhang, Kaili,
Vura-Weis, Josh,
de Groot, Frank M F |
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| Format: | Online-Aufsatz
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| Sprache: | English |
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| Veröffentlicht: |
2016
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| Zugriff auf das übergeordnete Werk: | Journal of synchrotron radiation
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| Schlagworte: | Journal Article
Research Support, U.S. Gov't, Non-P.H.S.
X-ray spectroscopy
differential orbital covalency
electronic structure
multiplet simulations |
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