Browse Collection: CaB6 and YbB6 hexaborides (CASSCF/MRCI)
https://iochem-bd.bsc.es/browse/handle/100/216342
CaB6 and YbB6 hexaborides (CASSCF/MRCI)
2026-04-08T06:09:06Z
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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
2022-06-30T11:56:43Z
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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
2022-06-30T11:56:37Z
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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
2022-06-30T11:56:31Z
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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
2022-06-30T11:56:22Z