title: Density functional theory of the electrical conductivity of molecular devices.
abstract: Time-dependent density functional theory is extended to include dissipative systems evolving under a master equation, providing a Hamiltonian treatment for molecular electronics. For weak electric fields, the isothermal conductivity is shown to match the adiabatic conductivity, thereby recovering the Landauer result.
authors.affiliation: Department of Chemistry and Chemical Biology, Rutgers University, 610 Taylor Road, Piscataway, NJ 08854, USA.
authors.forename: Kieron
authors.initials: K
authors.lastname: Burke
authors.forename: Roberto
authors.initials: R
authors.lastname: Car
authors.forename: Ralph
authors.initials: R
authors.lastname: Gebauer