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forum:data:2019:pp_hybridization [2019/12/03 12:37] – Created from the form at forum:start Riccardo Piomboforum:data:2019:pp_hybridization [2019/12/03 12:41] Riccardo Piombo
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 In particular I would like to simulate the case in which, when the P-d hybridization is zero, omitting the crystalline field on the d states then the pp hybridization separates the p states into four levels with energies: In particular I would like to simulate the case in which, when the P-d hybridization is zero, omitting the crystalline field on the d states then the pp hybridization separates the p states into four levels with energies:
  
-Ea1u = Delta_pd + Tpp +Ea1u = Delta_pd + Tpp\\ 
-Eb1u = Delta_pd - Tpp +Eb1u = Delta_pd - Tpp\\ 
-Eb2u = Ea1u +Eb2u = Ea1u\\ 
-Eeu = Delta_pd+Eeu = Delta_pd\\
  
 Schematically, at Tpd == 0, the energy diagram should be Schematically, at Tpd == 0, the energy diagram should be
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 d states d states
  
-________5 3d states_________+------- 3d states ------- 
  
 +\\
 +\\
 + 
 P states P states
  
-_______ Ea1u, Eb2u _______+------- Ea1u, Eb2u ------- 
  
-__________ Eeu __________+-------  Eeu ------- 
  
-__________ Eb1 __________+-------  Eb1 ------- 
  
  
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