Rainer Hartle
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Explore the profile of Rainer Hartle including associated specialties, affiliations and a list of published articles.
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Articles
6
Citations
29
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Recent Articles
1.
Hofmeister C, Hartle R, Rubio-Pons O, Coto P, Sobolewski A, Thoss M
J Mol Model
. 2014 Mar;
20(4):2163.
PMID: 24633770
A novel mechanism for switching a molecular junction based on a proton transfer reaction triggered by an external electrostatic field is proposed. As a specific example to demonstrate the feasibility...
2.
Ballmann S, Hartle R, Coto P, Elbing M, Mayor M, Bryce M, et al.
Phys Rev Lett
. 2012 Sep;
109(5):056801.
PMID: 23006194
We analyze quantum interference and decoherence effects in single-molecule junctions both experimentally and theoretically by means of the mechanically controlled break junction technique and density-functional theory. We consider the case...
3.
Wang H, Pshenichnyuk I, Hartle R, Thoss M
J Chem Phys
. 2012 Jan;
135(24):244506.
PMID: 22225168
The multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) theory within second quantization representation of the Fock space, a novel numerically exact methodology to treat many-body quantum dynamics for systems containing identical particles,...
4.
Volkovich R, Hartle R, Thoss M, Peskin U
Phys Chem Chem Phys
. 2011 Jul;
13(32):14333-49.
PMID: 21776449
We show that individual vibrational modes in single-molecule junctions with asymmetric molecule-lead coupling can be selectively excited by applying an external bias voltage. Thereby, a non-statistical distribution of vibrational energy...
5.
Secker D, Wagner S, Ballmann S, Hartle R, Thoss M, Weber H
Phys Rev Lett
. 2011 Apr;
106(13):136807.
PMID: 21517410
We carry out experiments on single-molecule junctions at low temperatures, using the mechanically controlled break junction technique. Analyzing the results obtained with various molecules, the nature of the first peak...
6.
Hartle R, Volkovich R, Thoss M, Peskin U
J Chem Phys
. 2010 Sep;
133(8):081102.
PMID: 20815551
In a nanoscale molecular junction at finite bias voltage, the intramolecular distribution of vibrational energy can strongly deviate from the thermal equilibrium distribution and specific vibrational modes can be selectively...