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  3. CaB6 and YbB6 hexaborides (CASSCF/MRCI)

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Manuscript title: Quantum chemical insights into hexaboride electronic structures: correlations within the boron p-orbital subsystem

DOI: 10.1038/s42005-022-00979-z

Metadata:

Title: YbB6_RHF
Authors: Petersen, Thorben
Keywords: Boron
Ab initio calculations
Issue Date: 30-Jun-2022
Publisher: Institute for Theoretical Solid State Physics, Leibniz IFW Dresden, Helmholtzstr. 20, 01069 Dresden, Germany
Description: YbB6 embedded cluster RHF starting orbitals for CASSCF
URI: https://iochem-bd.bsc.es/browse/handle/100/216344
Appears in Collections:CaB6 and YbB6 hexaborides (CASSCF/MRCI) - DOI: 10.19061/iochem-bd-6-146

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Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/216344

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