Phys. Rev. Lett. 104, 043001 (2010) [4 pages]Time-Dependent Density Functional Theory for Open Quantum Systems with Unitary PropagationReceived 25 February 2009; published 25 January 2010 We extend the Runge-Gross theorem for a very general class of open quantum systems under weak assumptions about the nature of the bath and its coupling to the system. We show that for Kohn-Sham (KS) time-dependent density functional theory, it is possible to rigorously include the effects of the environment within a bath functional in the KS potential. A Markovian bath functional inspired by the theory of nonlinear Schrödinger equations is suggested, which can be readily implemented in currently existing real-time codes. Finally, calculations on a helium model system are presented. © 2010 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.104.043001
DOI:
10.1103/PhysRevLett.104.043001
PACS:
31.15.ee, 02.70.-c, 03.65.Yz, 71.15.Mb
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