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In a UV-Vis theoretical calculation, what does the HOMO-LUMO gap mean?
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Nadeeja Rathnayaka
In a UV-Vis theoretical calculation, what does the HOMO-LUMO gap mean?
I was calculating the UV-Vis spectra of a particular compound, the value of lamda max was 514 and the electronic transitions that are favorable for this wavelength are HOMO-LUMO (92%), then the HOMO-LUMO gap must be equal to 514 nm? Because I got a 0.08559 value in hartrees equivalent to 532 nm.
