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Documentation of orbital energies #34

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ktheis opened this issue Nov 30, 2021 · 0 comments
Open

Documentation of orbital energies #34

ktheis opened this issue Nov 30, 2021 · 0 comments

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@ktheis
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ktheis commented Nov 30, 2021

In the listing of orbital energies, what defines the zero reference point of these numbers? It would be nice to have an explanation right on the site. I tried to ask the community about this (https://chemistry.stackexchange.com/questions/128544/for-molecular-orbitals-how-is-an-energy-of-zero-set-or-defined), but I did not receive an answer that is "student-ready". It is very difficult to find MO-diagrams with an energy axis, eventhough the order of orbitals is discussed extensively in textbooks.

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