title: Molecular conduction: do time-dependent simulations tell you more than the Landauer approach?
abstract: A dynamical method for simulating steady-state conduction in atomic and molecular wires is presented which is both computationally and conceptually simple. The method is tested by calculating the current-voltage spectrum of a simple diatomic molecular junction, for which the static Landauer approach produces multiple steady-state solutions. The dynamical method quantitatively reproduces the static results and provides information on the stability of the different solutions.
authors.affiliation: Unidad de Matemática y Física, Facultad de Ciencias Químicas, INFIQC, Universidad Nacional de Córdoba, Ciudad Universitaria, 5000 Córdoba, Argentina. cgsanchez@fcq.unc.edu.ar
authors.forename: Cristián G
authors.initials: CG
authors.lastname: Sánchez
authors.forename: Maria
authors.initials: M
authors.lastname: Stamenova
authors.forename: Stefano
authors.initials: S
authors.lastname: Sanvito
authors.forename: D R
authors.initials: DR
authors.lastname: Bowler
authors.forename: Andrew P
authors.initials: AP
authors.lastname: Horsfield
authors.forename: Tchavdar N
authors.initials: TN
authors.lastname: Todorov