Browse Collection: CaB6 and YbB6 hexaborides (CASSCF/MRCI) https://iochem-bd.bsc.es/browse/handle/100/216342 CaB6 and YbB6 hexaborides (CASSCF/MRCI) Wed, 08 Apr 2026 01:11:57 GMT 2026-04-08T01:11:57Z CaB6_RHF https://iochem-bd.bsc.es/browse/handle/100/216346 Title: CaB6_RHF Authors: Petersen, Thorben Description: CaB6 embedded cluster RHF starting orbitals for CASSCF Thu, 30 Jun 2022 11:56:43 GMT https://iochem-bd.bsc.es/browse/handle/100/216346 2022-06-30T11:56:43Z CaB6_CAS+MRCI https://iochem-bd.bsc.es/browse/handle/100/216345 Title: CaB6_CAS+MRCI Authors: Petersen, Thorben Description: CaB6 embedded cluster CAS(6,6) + MRCI Thu, 30 Jun 2022 11:56:37 GMT https://iochem-bd.bsc.es/browse/handle/100/216345 2022-06-30T11:56:37Z YbB6_RHF https://iochem-bd.bsc.es/browse/handle/100/216344 Title: YbB6_RHF Authors: Petersen, Thorben Description: YbB6 embedded cluster RHF starting orbitals for CASSCF Thu, 30 Jun 2022 11:56:31 GMT https://iochem-bd.bsc.es/browse/handle/100/216344 2022-06-30T11:56:31Z YbB6_CAS+MRCI https://iochem-bd.bsc.es/browse/handle/100/216343 Title: YbB6_CAS+MRCI Authors: Petersen, Thorben Description: YbB6 embedded cluster CAS(6,6) + MRCI Thu, 30 Jun 2022 11:56:22 GMT https://iochem-bd.bsc.es/browse/handle/100/216343 2022-06-30T11:56:22Z