TY  - JOUR
AU  - Fallaque, Joel 
AU  - Rodríguez-González, Sandra
AU  - Martín, Fernando
AU  - Díaz Blanco, Cristina
PY  - 2022
DO  - 10.1088/1361-648x/ac89c4
SN  - 0953-8984
UR  - https://hdl.handle.net/20.500.14352/92075
T2  - Journal of physics: Condensed Matter
AB  - In view of the development and the importance that the studies of conductance through molecular junctions is acquiring, robust, reliable and easy-to-use theoretical tools are the most required. Here, we present an efficient implementation of the...
LA  - eng
M2  - 435901
PB  - Institute of Physics
KW  - Conductance
KW  - DFT+sigma
KW  - Acenes
KW  - Molecular junctions
TI  - Self-energy corrected DFT-NEGF for conductance in molecular junctions: an accurate and efficient implementation for TRANSIESTA package applied to Au electrodes
TY  - journal article
VL  - 34
ER  -