Abstract:

Conventional quantum dissipation theory is often limited to model systems which contain a few levels, while quantum chemistry methods are routinely applied to real complex systems containing hundreds or thousands of orbitals. Basing on the holographic electron density theorem, an exact first-principles framework is proposed for open systems, in particular, a time-dependent density-fucntional theory is developed for quantum transport, and has been applied to simulate the transient currents through various nanoscopic electronic devices. In particular, transient currents through a set of metallic wires of different sizes are calculated, and a surprising linear relationship between the current and time is observed.
 
 
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