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| forum:data:2020:tanabe-tsugano_diagram_d_10_configuration [2020/03/05 18:37] – Created from the form at forum:start Riccardo Piombo | forum:data:2020:tanabe-tsugano_diagram_d_10_configuration [2020/03/05 18:44] (current) – Riccardo Piombo | ||
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| Hi everyone, | Hi everyone, | ||
| - | While doing the Tanabe-Tsugano diagram of a transition metal (TM) complex, as the CuO square planar structure, I realized that when the electronic structure of the TM involves a d^n configuration with n<10 (in CuO n=9) everything' | + | While doing the Tanabe-Tsugano diagram of a transition metal (TM) complex, as the CuO square planar structure, I realized that when the electronic structure of the TM involves a d^n configuration with n<10 (in CuO n=9) everything' |
| Here is the part of the code to which the error refers: | Here is the part of the code to which the error refers: | ||
| Line 55: | Line 55: | ||
| </ | </ | ||
| - | The other way around if I uncomment the following line of code | + | The other way around if I uncomment the following line of code (the twelfth row from the beginning of the script): |
| < | < | ||
| Line 63: | Line 63: | ||
| The calculation is successful but it gives me an empty diagram. Can everyone please help me? | The calculation is successful but it gives me an empty diagram. Can everyone please help me? | ||
| Thanks in advance | Thanks in advance | ||
| + | |||
| + | P.S should the problem be linked with the fact that a d10 configuration is made by a single Slater determinant? | ||
| </ | </ | ||
| ~~DISCUSSION|Answers~~ | ~~DISCUSSION|Answers~~ | ||
