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Performing ab initio calculations on complex manifolds of excited states of lanthanides in solids
Hope
MOLCAS manual
BaF2:Ce
CASSCF
Initial orbitals
Integrals
MS-CASPT2
RASSI-SO
BaF2:Pr
CASSCF
Initial orbitals
Integrals
MS-CASPT2
RASSI-SO
Bitacora
Comments
Course calendar
Embedding AIMP data
Introduction
References
The authors
The project directory
Verification
Performing ab initio calculations on complex manifolds of excited states of lanthanides in solids
Hope
MOLCAS manual
BaF2:Ce
CASSCF
Initial orbitals
Integrals
MS-CASPT2
RASSI-SO
BaF2:Pr
CASSCF
Initial orbitals
Integrals
MS-CASPT2
RASSI-SO
Bitacora
Comments
Course calendar
Embedding AIMP data
Introduction
References
The authors
The project directory
Verification
More
Hope
MOLCAS manual
BaF2:Ce
CASSCF
Initial orbitals
Integrals
MS-CASPT2
RASSI-SO
BaF2:Pr
CASSCF
Initial orbitals
Integrals
MS-CASPT2
RASSI-SO
Bitacora
Comments
Course calendar
Embedding AIMP data
Introduction
References
The authors
The project directory
Verification
Comments
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