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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 12:41] – 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, | Schematically, | ||
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d states | d states | ||
- | ________5 | + | ------- |
+ | \\ | ||
+ | \\ | ||
+ | |||
P states | P states | ||
- | _______ | + | ------- |
- | __________ | + | ------- |
- | __________ | + | ------- |