Singlet-Triplet (S0 – T1) gap with spin-orbit qs-GW-Bethe−Salpeter Equation (video tip of the week)
In this video tip of the week we’ll show how you can now use spin-orbit in combination with GW-BSE calculations for most accurate excitation energies. See also our GW-BSE tutorial.
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Key conceptsADF organic electronics Relativistic DFT spectroscopy tips & tricks