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forum:data:2020:pes [2020/04/30 12:21]
Riccardo Piombo
forum:data:2020:pes [2020/04/30 12:38] (current)
Riccardo Piombo
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 <​code>​ <​code>​
 +-- number of fermionic spin-orbitals
 +NF=20
 +-- number of bosonic modes
 +NB=0
 +
 +-- 4d spin-orbitals in spherical harmonics basis
 +IndexDn_4d={ 0, 2, 4, 6, 8}
 +IndexUp_4d={ 1, 3, 5, 7, 9}
 +
 +-- Ligand-P spin-orbitals in spherical harmonics basis
 +IndexDn_Ld={10,​ 12, 14, 16, 18}
 +IndexUp_Ld={11,​ 13, 15, 17, 19}
 +
 --######################################### ​ PES Spectrum ​ #########################################​ --######################################### ​ PES Spectrum ​ #########################################​
    
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