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• W2963262425 endingPage "7441" @default.
• W2963262425 startingPage "7431" @default.
• W2963262425 abstract "The multilayer multiconfiguration time-dependent Hartree method is employed to study vibrationally coupled electron transport in models of single molecule junctions. To increase the efficiency of the simulation method, a representation of the Hamiltonian in terms of the scattering states of the underlying electronic Hamiltonian is used. It is found that with an appropriate choice of the scattering states the artificial electron correlation present in the original representation of the model is greatly reduced. This allows efficient simulation of the steady-state currents in a wide physical parameter space, which is demonstrated by several numerical examples." @default.
• W2963262425 created "2019-07-30" @default.
• W2963262425 creator A5041665905 @default.
• W2963262425 creator A5069496806 @default.
• W2963262425 date "2013-04-03" @default.
• W2963262425 modified "2023-10-16" @default.
• W2963262425 title "Multilayer Multiconfiguration Time-Dependent Hartree Study of Vibrationally Coupled Electron Transport Using the Scattering-State Representation" @default.
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• W2963262425 doi "https://doi.org/10.1021/jp401464b" @default.
• W2963262425 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/23506508" @default.
• W2963262425 hasPublicationYear "2013" @default.
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