Magyar Tudományos Akadémia |
SZFKI SZEMINÁRIUM
Bihary Zsolt
(Chemistry Department, Northwestern
University)
Molecular electronics - Role of dephasing
and electron correlation
After a brief summary on the
field of molecular electronics, I present an introduction to the
Non-equilibrium Green function (Keldysh) formalism
and its current numerical applications for studying quantum transport in
molecular systems. These techniques are purely quantum-chemical 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 self-consistent Hartree-Fock
(mean-field) type; hence they are not reliable in situations when
electron-electron correlations are strong. In my presentation, I propose
generalized and alternative approaches within the Keldysh
formalism to account for dephasing and correlation
effects.
2005. április 12. (kedd) de. 10:00
I. épület Tanácsterem
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