Quanty4RIXS: a program for crystal field multiplet calculations of RIXS and RIXS–MCD spectra using Quanty

Some initial instructions for the Quanty4RIXS program written in MATLAB(®) are provided. The program assists in the calculation of 1s 2p RIXS and 1s 2p RIXS–MCD spectra using Quanty. Furthermore, 1s XAS and 2p 3d RIXS calculations in different symmetries can also be performed. It includes the Hartre...

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Detalles Bibliográficos
Autores principales: Zimmermann, Patric, Green, Robert J., Haverkort, Maurits W., de Groot, Frank M. F.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Computer Programs
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5929360/
https://www.ncbi.nlm.nih.gov/pubmed/29714203
http://dx.doi.org/10.1107/S1600577518004058

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5929360/
https://www.ncbi.nlm.nih.gov/pubmed/29714203
http://dx.doi.org/10.1107/S1600577518004058

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