Electron transport at the molecular scale from first-principles
Giorgos Fagas
Tyndall National Institute

June 5, 2008, 1 p.m.


In this talk, I will give an overview of a long-term project within the Electronics Theory Group at Tyndall National Insitute to describe quantum transport from first-principles. In contrast to common mean-field descriptions, I will introduce a many-body approach which is based on configuration interaction and can provide current-voltage characteristics to the required accuracy. I will demonstrate the utility of our method with specific applications to a range of molecular junctions. The good agreement with extensive measurements allows to discuss independent particle models within this framework.



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Electron transport at the molecular scale from first-principles
Giorgos Fagas
Tyndall National Institute

June 5, 2008, 1 p.m.


In this talk, I will give an overview of a long-term project within the Electronics Theory Group at Tyndall National Insitute to describe quantum transport from first-principles. In contrast to common mean-field descriptions, I will introduce a many-body approach which is based on configuration interaction and can provide current-voltage characteristics to the required accuracy. I will demonstrate the utility of our method with specific applications to a range of molecular junctions. The good agreement with extensive measurements allows to discuss independent particle models within this framework.



Share