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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 | ||
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+ | \\ | ||
+ | \\ | ||
+ | \\ | ||
+ | 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(" | ||
+ | hybrid_pp = NewOperator(" | ||
+ | hybrid_pp.Name = "p-p hybridization" | ||
+ | |||
+ | |||
+ | Thanks in advance to all | ||
</ | </ | ||
~~DISCUSSION|Answers~~ | ~~DISCUSSION|Answers~~ | ||