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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...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley and Sons Inc.
2021
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| Materias: | |
| 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 |