Referenced by:
Manuscript title: Quantum chemical insights into hexaboride electronic structures: correlations within the boron p-orbital subsystem
Metadata:
Title: | CaB6_CAS+MRCI |
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: | CaB6 embedded cluster CAS(6,6) + MRCI |
URI: | https://iochem-bd.bsc.es/browse/handle/100/216345 |
Appears in Collections: | CaB6 and YbB6 hexaborides (CASSCF/MRCI) - DOI: 10.19061/iochem-bd-6-146 |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/216345