Density functional theory of dissipative systems

Kieron Burke; Roberto Car; Ralph Gebauer

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Density functional theory of dissipative systems

Kieron Burke·Roberto Car·Ralph Gebauer

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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.

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Kieron Burke, Roberto Car, Ralph Gebauer. 2004-10-14. Density functional theory of dissipative systems. https://arxiv.org/abs/cond-mat/0410352

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