Calculating UV Vis spectra

[Akash Ramasamy]

Dear all,
                  Is there a way to calculate the UV Vis spectra like in Gaussian or any other spectral studies for molecules in our quantum ATK?   

[pk364]

Have you tried OpticalSpectrum?

https://docs.quantumatk.com/manual/Types/OpticalSpectrum/OpticalSpectrum.html#NL.Analysis.OpticalSpectrum.OpticalSpectrum

[Akash Ramasamy]

Optical spectrum enables only in the bulk configuration, not the molecular configuration.

[Anders Blom]

Yeah, it's just a matter of which class you use. If you embed the molecule in a box (i.e. using the BulkConfiguration with enough vacuum around) you can still calculate the optical spectrum.

[Akash Ramasamy]

Thanks for your suggestion.