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--- forum:data:2019:pp_hybridization [2019/12/03 12:37] – Created from the form at forum:start Riccardo Piombo
+++ forum:data:2019:pp_hybridization [2019/12/03 12:44] – Riccardo Piombo
@@ Line 12: / Line 12: @@
 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
@@ Line 21: / Line 21: @@
 d states
-________5 3d states_________
+-------  5 3d states -------
+\\
+\\
 P states
-_______ Ea1u, Eb2u _______
+------- Ea1u, Eb2u -------
-__________ Eeu __________
+-------  Eeu -------
-__________ 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
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