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most citedImplementing the Keldysh formalism into the ab initio Gaussian Embedded Cluster Method for the calculation of quantum transport

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cond-mat.mtrl-sci2002

Analysis of Scanning Tunneling Spectroscopy Experiments from First Principles: the Test Case of C60 Adsorbed on Au(111)

A. J. Perez-Jimenez, J. J. Palacios, E. Louis +2

We report on the first principles determination of the conductance properties of Buckminster fullerene adsorbed on a gold surface, comparing them with recent Scanning Tunneling Mic…