Validation of the density-functional based tight-binding approximation method for the calculation of reaction energies and other data

Krüger, T.T.KrügerElstner, M.M.ElstnerSchiffels, P.P.SchiffelsFrauenheim, T.T.Frauenheim2022-03-032022-03-032005https://publica.fraunhofer.de/handle/publica/20919310.1063/1.1871913en620660671530Validation of the density-functional based tight-binding approximation method for the calculation of reaction energies and other datajournal article