ORCA TUTORIAL: computing excited states 1) CREATE INPUT TO COMPUTE UV-VIS 2) ANALYZE OUTPUT 3) WHAT ARE THE TRANSITIONS CORRESPONDING TO? These can be helpful (theory): chemwiki.ucdavi... chemwiki.ucdavi...
Hello IaNiusha, thanks for your valuable explains. but I have a question about this tutorial. How do we find oscillator strength from ORCA output ?? Thanks again.
Hi! Thank you for your tutorials. I am unable to view the orbitals and their energies when I open my output file in Avogadro. Am I suppose to add something to my input? It's pretty much the same input as yours.
In Gaussian we can obtain the state, the energy, orbitals and the f ( oscillator strengh). But in the ouput file of the ORCA, I could not see f (oscillator strength ) in your video, how can I get the f from the ORCA ? Because without the information about f we can not plot the absorption as a function of wavelength. Thank you
if you scroll down to the absorption spectrum section you'll see the values. If you don't find it, watch my next video, I talked about it there: ru-vid.com/video/%D0%B2%D0%B8%D0%B4%D0%B5%D0%BE-CNJdzQ6HtTA.html
