Zobrazeno 1 - 10
of 703
pro vyhledávání: '"Großmann F"'
Publikováno v:
Ecological Applications, 2020 Sep 01. 30(6), 1-15.
Externí odkaz:
https://www.jstor.org/stable/26932488
Based on a combined quantum-classical treatment, a complete study of the strong field dynamics of H2+, i.e. including all nuclear and electronic DOF as well as dissociation and ionization, is presented. We find that the ro-vibrational nuclear dynamic
Externí odkaz:
http://arxiv.org/abs/1103.1565
Publikováno v:
J. Chem. Phys., Vol. 120, No. 1, 1 January 2004
We numerically compare the semiclassical ``frozen Gaussian'' Herman-Kluk propagator [Chem. Phys. 91, 27 (1984)] and the ``thawed Gaussian'' propagator put forward recently by Baranger et al. [J. Phys. A 34, 7227 (2001)] by studying the quantum dynami
Externí odkaz:
http://arxiv.org/abs/quant-ph/0309086
Publikováno v:
Europhys. Lett. v62, pp. 90-96 (2003)
The conductance of a molecular junction is commonly determined by either charge-transfer-doping, where alignment of the Fermi energy to the molecular levels is achieved, or tunnelling through the tails of molecular resonances within the highest-occup
Externí odkaz:
http://arxiv.org/abs/cond-mat/0301620
The conductance of {\em cis/trans} isomers of stilbene molecules connected to armchair single wall carbon nanotubes is studied in the Landauer formalism combined with a density-functional based approach. For a given arrangement of the electrodes, dra
Externí odkaz:
http://arxiv.org/abs/cond-mat/0211506
Publikováno v:
Advances in Solid State Physics 42, 133 (2002)
Molecular electronic devices are the upmost destiny of the miniaturization trend of electronic components. Although not yet reproducible on large scale, molecular devices are since recently subject of intense studies both experimentally and theoretic
Externí odkaz:
http://arxiv.org/abs/cond-mat/0209138
Publikováno v:
Physica E 12, 749 (2002)
We have investigated the electronic properties of a C_60 molecule in between carbon nanotube leads. This problem has been tackled within a quantum chemical treatment utilizing a density functional theory-based LCAO approach combined with the Landauer
Externí odkaz:
http://arxiv.org/abs/cond-mat/0108377
Publikováno v:
Physical Review B 65, 113410 (2002)
We have performed parameter-free calculations of electron transport across a carbon molecular junction consisting of a C$_{60}$ molecule sandwiched between two semi-infinite metallic carbon nanotubes. It is shown that the Landauer conductance of this
Externí odkaz:
http://arxiv.org/abs/cond-mat/0108150
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