Phys. Rev. Lett. 94, 146803 (2005) [4 pages]Density Functional Theory of the Electrical Conductivity of Molecular DevicesSee Also: Publisher's Note Received 14 October 2004; published 13 April 2005; publisher error corrected 15 April 2005 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. © 2005 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.94.146803
DOI:
10.1103/PhysRevLett.94.146803
PACS:
73.63.–b, 03.65.Yz, 31.10.+z, 71.15.Mb
See AlsoPublisher's Note: Kieron Burke, Roberto Car, and Ralph Gebauer, Publisher’s Note: Density Functional Theory of the Electrical Conductivity of Molecular Devices [Phys. Rev. Lett. 94, 146803 (2005)], Phys. Rev. Lett. 94, 159901 (2005). |
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