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

  1. Fallaque, J.G.
  2. Rodríguez-González, S.
  3. Martín, F.
  4. Díaz, C.
Zeitschrift:
Journal of Physics Condensed Matter

ISSN: 1361-648X 0953-8984

Datum der Publikation: 2022

Ausgabe: 34

Nummer: 43

Art: Artikel

DOI: 10.1088/1361-648X/AC89C4 GOOGLE SCHOLAR