Timeline for How to interpret orbital transition in TDDFT?
Current License: CC BY-SA 3.0
3 events
| when toggle format | what | by | license | comment | |
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| May 14, 2015 at 19:49 | comment | added | hokru | @user1945827 the section i gave is printed for every transition (1 to 9). OP's table is the summary at then end of the td-dft output. It becomes clear if you download the output file from OPs post. | |
| May 13, 2015 at 15:05 | comment | added | DarrenRhodes | jmol is useful for visualising orbitals. (@hokru So how do you tie your 16 -> 17 transition to the appropriate eV result in the OP's table?) | |
| May 13, 2015 at 13:28 | history | answered | hokru | CC BY-SA 3.0 |