Development and Application of a Complete Active Space Spin‐Orbit Configuration Interaction Program Designed for Single Molecule Magnets

We present a spin‐orbit configuration interaction program which has been tailored for the description of the magnetic properties of polynuclear metal complexes with partially filled d‐ and f‐shells. The spin‐orbit operators are directly included in the configuration interaction program based on Slat...

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Detalles Bibliográficos
Autores principales: Bodenstein, Tilmann, Heimermann, Andreas, Fink, Karin, van Wüllen, Christoph
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2021
Materias:
Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9298407/
https://www.ncbi.nlm.nih.gov/pubmed/34505748
http://dx.doi.org/10.1002/cphc.202100648

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9298407/
https://www.ncbi.nlm.nih.gov/pubmed/34505748
http://dx.doi.org/10.1002/cphc.202100648

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