Time-dependent density-functional theory for open systems

Details Time-dependent density-functional theory for open systems Time-dependent density-functional theory for open systems

2007-02-27

arxiv.org/abs/quant-ph/0702249v1

Physics

Quantum Physics

16 pages, 12 figures

Scientific paper

10.1103/PhysRevB.75.195127

By introducing the self-energy density functionals for the dissipative interactions between the reduced system and its environment, we develop a time-dependent density-functional theory formalism based on an equation of motion for the Kohn-Sham reduced single-electron density matrix of the reduced system. Two approximate schemes are proposed for the self-energy density functionals, the complete second order approximation and the wide-band limit approximation. A numerical method based on the wide-band limit approximation is subsequently developed and implemented to simulate the steady and transient current through various realistic molecular devices. Simulation results are presented and discussed.

Affiliated with

Also associated with

No associations

Rating

Time-dependent density-functional theory for open systems does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Time-dependent density-functional theory for open systems, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Time-dependent density-functional theory for open systems will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-207625