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forum:data:2019:pp_hybridization [2019/12/03 12:41]
Riccardo Piombo
forum:data:2019:pp_hybridization [2019/12/03 12:44]
Riccardo Piombo
Line 34: Line 34:
 ------- ​ Eb1 ------- ​ ------- ​ Eb1 ------- ​
  
 +\\
 +\\
 +\\
 +I think that this is not right:
  
 +Delta_pd = -2.75 \\
 +Tpp = -1.0\\
  
 +Ea1u = Delta_pd + Tpp\\
 +Eb1u = Delta_pd - Tpp\\
 +Eb2u = Ea1u\\
 +Eeu = Delta_pd\\
 +
 +Akm_pp = PotentialExpandedOnClm("​Oh",​1,​{Ea1u,​Eb1u,​Eb2u,​Eeu})\\
 +hybrid_pp = NewOperator("​CF",​ NF, IndexUp_Ld, IndexDn_Ld, Akm_pp)\\
 +hybrid_pp.Name = "p-p hybridization"​
 +
 +
 +Thanks in advance to all
 </​WRAP>​ </​WRAP>​
  
 ~~DISCUSSION|Answers~~ ~~DISCUSSION|Answers~~
  
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