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

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dc.creatorLouis, E.
dc.creatorVerges, J. A.
dc.creatorPalacios, J. J.
dc.creatorPerez-Jimenez, A. J.
dc.creatorSanFabian, E.
dc.date2002-12-05
dc.date.accessioned2026-07-07T02:48:34Z
dc.date.available2026-07-07T02:48:34Z
dc.descriptionWe discuss the key steps that have to be followed to calculate quantum transport out of equilibrium by means of the {\it ab initio} Gaussian Embedded Cluster Method recently developed by the authors. Our main aim is to emphasize through several examples that, if a sufficiently large portion of the electrodes is included in the {\it ab initio} calculation, which does also incorporate an electrochemical potential difference $μ_L-μ_R=eV$, there is no need to impose an electrostatic potential $V$ drop accross the system.
dc.description4 pages, 4 figures, submitted to Physical Review B
dc.identifierhttps://arxiv.org/abs/cond-mat/0212115
dc.identifierhttp://arxiv.org/abs/cond-mat/0212115
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/20453
dc.subjectCondensed Matter
dc.titleImplementing the Keldysh formalism into the ab initio Gaussian Embedded Cluster Method for the calculation of quantum transport
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