

 After a brief summary on the field of molecular electronics, I present an introduction to the nonequilibrium Green function (Keldysh) formalism and its current numerical applications for studying quantum transport in molecular systems. These techniques are purely quantumchemical in nature, they do not take dephasing effects into account, therefore are incapable of describing the transition from the purely elastic tunneling regime to the classical, thermally dephased conduction regime. Another shortcoming of the existing techniques is that they are of the selfconsistent HartreeFock (meanfield) type; hence they are not reliable in situations when electronelectron correlations are strong. In my presentation, I propose generalized and alternative approaches within the Keldysh formalism to account for dephasing and correlation effects.



Invited by G. Cuniberti (CMT + MC seminar)
last modified: 2019.10.11 Fr

Prof. Dr. Gianaurelio Cuniberti
secretariat:
postal address:
Institute for Materials Science
TU Dresden
01062 Dresden, Germany
visitors and courier address:
