Browse Collection: CaB6 and YbB6 hexaborides (CASSCF/MRCI)
CaB6 and YbB6 hexaborides (CASSCF/MRCI)
https://iochem-bd.bsc.es/browse/handle/100/216342
2026-04-08T02:43:28Z
2026-04-08T02:43:28Z
CaB6_RHF
Petersen, Thorben
https://iochem-bd.bsc.es/browse/handle/100/216346
2022-06-30T09:58:42Z
2022-06-30T11:56:43Z
Title: CaB6_RHF
Authors: Petersen, Thorben
Description: CaB6 embedded cluster RHF starting orbitals for CASSCF
2022-06-30T11:56:43Z
CaB6_CAS+MRCI
Petersen, Thorben
https://iochem-bd.bsc.es/browse/handle/100/216345
2022-06-30T09:58:42Z
2022-06-30T11:56:37Z
Title: CaB6_CAS+MRCI
Authors: Petersen, Thorben
Description: CaB6 embedded cluster CAS(6,6) + MRCI
2022-06-30T11:56:37Z
YbB6_RHF
Petersen, Thorben
https://iochem-bd.bsc.es/browse/handle/100/216344
2022-06-30T09:58:42Z
2022-06-30T11:56:31Z
Title: YbB6_RHF
Authors: Petersen, Thorben
Description: YbB6 embedded cluster RHF starting orbitals for CASSCF
2022-06-30T11:56:31Z
YbB6_CAS+MRCI
Petersen, Thorben
https://iochem-bd.bsc.es/browse/handle/100/216343
2022-06-30T09:58:42Z
2022-06-30T11:56:22Z
Title: YbB6_CAS+MRCI
Authors: Petersen, Thorben
Description: YbB6 embedded cluster CAS(6,6) + MRCI
2022-06-30T11:56:22Z