Self-energy corrected DFT-NEGF for conductance in molecular junctions: an accurate and efficient implementation for TRANSIESTA package applied to Au electrodes

Fallaque J.G.Rodríguez-González S.Martín, FernandoDíaz C.2022-10-032022-10-032022http://hdl.handle.net/20.500.12614/3168enAtribución-NoComercial-SinDerivadas 3.0 EspañaSelf-energy corrected DFT-NEGF for conductance in molecular junctions: an accurate and efficient implementation for TRANSIESTA package applied to Au electrodesresearch article10.1088/1361-648X/ac89c4open access