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Conductance Calculations for Real Systems on the Nanoscale
Author(s) -
Grossmann Frank,
Gutiérrez Rafael,
Schmidt Rüdiger
Publication year - 2002
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/1439-7641(20020816)3:8<650::aid-cphc650>3.0.co;2-f
Subject(s) - conductance , formalism (music) , fullerene , nanoscopic scale , electron transport chain , molecular electronics , chemical physics , density functional theory , nanotechnology , physics , materials science , statistical physics , chemistry , molecule , computational chemistry , condensed matter physics , quantum mechanics , art , musical , biochemistry , visual arts
Electron transport across molecular junctions is a rapidly growing topic at the borderline between physics and chemistry. We review calculations which were done in the Landauer transport formalism for monovalent systems, ranging from clusters to fullerenes. A realistic description of molecular conductance can be achieved by a density functional based approach to the calculation of the electronic transport properties.