Density functional theory of the electrical conductivity of molecular devices.
نویسندگان
چکیده
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.
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ورودعنوان ژورنال:
- Physical review letters
دوره 94 14 شماره
صفحات -
تاریخ انتشار 2005