![Anharmonic Vibrational States of Solids from DFT Calculations. Part I: Description of the Potential Energy Surface]()
Anharmonic Vibrational States of Solids from DFT Calculations. Part I: Description of the Potential Energy SurfaceErba, Alessandro; Maul, Jefferson; Ferrabone, Matteo; Carbonniere, Philippe; Rérat, Michel; Dovesi, Roberto · Journal of Chemical Theory and Computation · 2019