Coming Soon: UV-Vis Spectroscopy on HQStage

We are developing HQS-UV-Vis, a new HQStage tool for calculating and analysing UV and visible spectra.

HQS-UV-Vis computes electronic excitations and spectral band shapes based on vibronic coupling, using efficient semiempirical methods and simple Franck-Condon approximation. It also fits these theoretical models to experimental spectra, helping users identify physically meaningful electronic and vibronic parameters.

HQS-UV-Vis will be available to all HQStage users soon.