Timeline for Why don't the MO energies sum up to Hartree-Fock SCF value?
Current License: CC BY-SA 4.0
7 events
| when toggle format | what | by | license | comment | |
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| Sep 13, 2021 at 17:57 | history | edited | Tyberius♦ | CC BY-SA 4.0 |
added 33 characters in body
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| Jul 3, 2021 at 12:38 | history | edited | Tyberius♦ | CC BY-SA 4.0 |
added 28 characters in body
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| Jul 3, 2021 at 7:27 | vote | accept | Bobik | ||
| Jul 3, 2021 at 7:14 | vote | accept | Bobik | ||
| Jul 3, 2021 at 7:26 | |||||
| Jul 2, 2021 at 17:00 | history | edited | orthocresol | CC BY-SA 4.0 |
syntax highlighting; also spaces around operators is more readable and pep8 compliant...
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| Jul 2, 2021 at 16:56 | comment | added | Ian Bush | As well as the maths you might consider a physical picture - the orbital energy of electron 1 is from electron 1 moving in the potential of all the other electrons, so it includes the interaction of electron 1 and electron 2. Similarly electron 2's orbital energy includes the interaction with all other electrons, including electron 1. Thus if you sum the orbital energies you include each e-e electron twice. Thus you need to half it to get the right energy. | |
| Jul 2, 2021 at 16:52 | history | answered | Tyberius♦ | CC BY-SA 4.0 |