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Polaron Effects on Charge Transport through Molecular Wires: A Multiscale Approach.
Kubař T, Elstner M, Popescu B, Kleinekathöfer U. Kubař T, et al. Among authors: kleinekathofer u. J Chem Theory Comput. 2017 Jan 10;13(1):286-296. doi: 10.1021/acs.jctc.6b00879. Epub 2016 Dec 16. J Chem Theory Comput. 2017. PMID: 27983832
A previous multiscale nonequilibrium Green's function simulation scheme (Popescu, B.; Woiczikowski, P. B.; Elstner, M.; Kleinekathofer, U. Phys. Rev. Lett. (2012), 109, 176802) has been extended significantly so that the present approach provides a much more complet …
A previous multiscale nonequilibrium Green's function simulation scheme (Popescu, B.; Woiczikowski, P. B.; Elstner, M.; Kleinekathofer …
Chebyshev Expansion Applied to Dissipative Quantum Systems.
Popescu B, Rahman H, Kleinekathöfer U. Popescu B, et al. Among authors: kleinekathofer u. J Phys Chem A. 2016 May 19;120(19):3270-7. doi: 10.1021/acs.jpca.5b12237. Epub 2016 Feb 12. J Phys Chem A. 2016. PMID: 26845380
114 results