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, F.
- Díaz, C.
ISSN: 1361-648X, 0953-8984
Year of publication: 2022
Volume: 34
Issue: 43
Type: Article