Kohn-Sham Master Equation Approach to Transport Through Single Molecules
In recent years it has become possible to study experimentally charge transport through single molecules [Nitzan 2003]. Typically, the devices in which such experiments can be realized consist of metal-molecule-metal junctions, where two metallic leads are connected by some molecule. Such junctions are expected to be at the basis of future molecular-based electronic devices. But apart from technological applications, these experiments can also be taken as a basis for understanding electron tunneling in general.
KeywordsDensity Matrix Master Equation Open Boundary Condition Collision Term Molecular Junction
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