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Phys. Rev. B 78, 125320 (2008) [9 pages]

Inelastic transport in the Coulomb blockade regime within a nonequilibrium atomic limit

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Michael Galperin1,*, Abraham Nitzan2, and Mark A. Ratner3
1Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093-0340, USA
2School of Chemistry, The Sackler Faculty of Sciences, Tel Aviv University, Tel Aviv 69978, Israel
3Department of Chemistry and Materials Research Center, Northwestern University, Evanston, Illinois 60208, USA

Received 12 June 2008; published 18 September 2008

A method developed by Sandalov et al. Int. J. Quantum Chem. 94 113 (2003)] is applied to inelastic transport in the case of strong correlations on the molecule, which is relatively weakly coupled to contacts. The ability of the approach to deal with the transport in the language of many-body molecular states as well as to take into account charge-specific normal modes and nonadiabatic couplings is stressed. We demonstrate the capabilities of the technique within simple model calculations and compare it to previously published approaches.

© 2008 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.78.125320
DOI:
10.1103/PhysRevB.78.125320
PACS:
73.23.−b, 85.65.+h, 71.38.−k, 73.63.Kv

*Also at Theoretical Division and Center for Integrated Nanotechnologies, Los Alamos National Laboratory, Los Alamos, NM 87545, USA.