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Statements

Subject Item
n2:RIV%2F00216208%3A11320%2F13%3A10191367%21RIV14-GA0-11320___
rdf:type
skos:Concept n22:Vysledek
rdfs:seeAlso
http://dx.doi.org/10.1063/1.4826046
dcterms:description
We propose a model of the electron tunneling through a molecular junction, with torsional vibrational motion of the molecule coupled to the electron. The quantum dynamics for this two dimensional model is solved numerically by expansion of the wave-function in the Fourier series in the vibrational coordinate and the inversion of the system of equations resulting from the integral Lippmann-Schwinger equation. The fast convergence of this spectral method is observed and essentially exact solution is obtained. The resulting transmission functions are discussed in different regimes and the performance of some common approximation techniques (frozen vibrations, Chase (adiabatic) approximation, method of the local complex potential) is tested. We propose a model of the electron tunneling through a molecular junction, with torsional vibrational motion of the molecule coupled to the electron. The quantum dynamics for this two dimensional model is solved numerically by expansion of the wave-function in the Fourier series in the vibrational coordinate and the inversion of the system of equations resulting from the integral Lippmann-Schwinger equation. The fast convergence of this spectral method is observed and essentially exact solution is obtained. The resulting transmission functions are discussed in different regimes and the performance of some common approximation techniques (frozen vibrations, Chase (adiabatic) approximation, method of the local complex potential) is tested.
dcterms:title
Model of Electron Tunneling through Molecular Junction: Numerically Exact Solution and Performance of Approximation Methods Model of Electron Tunneling through Molecular Junction: Numerically Exact Solution and Performance of Approximation Methods
skos:prefLabel
Model of Electron Tunneling through Molecular Junction: Numerically Exact Solution and Performance of Approximation Methods Model of Electron Tunneling through Molecular Junction: Numerically Exact Solution and Performance of Approximation Methods
skos:notation
RIV/00216208:11320/13:10191367!RIV14-GA0-11320___
n22:predkladatel
n23:orjk%3A11320
n3:aktivita
n20:I n20:P
n3:aktivity
I, P(GAP208/10/1281)
n3:dodaniDat
n14:2014
n3:domaciTvurceVysledku
n16:6672779 n16:6207162
n3:druhVysledku
n5:D
n3:duvernostUdaju
n19:S
n3:entitaPredkladatele
n13:predkladatel
n3:idSjednocenehoVysledku
88749
n3:idVysledku
RIV/00216208:11320/13:10191367
n3:jazykVysledku
n9:eng
n3:klicovaSlova
quantum dynamics; resonances; inelastic electron collisions; molecular electronics
n3:klicoveSlovo
n10:quantum%20dynamics n10:molecular%20electronics n10:resonances n10:inelastic%20electron%20collisions
n3:kontrolniKodProRIV
[A8CCE2F9987D]
n3:mistoKonaniAkce
Rhodos, Řecko
n3:mistoVydani
Melville, New York, US
n3:nazevZdroje
AIP Conference Proceedings
n3:obor
n12:BE
n3:pocetDomacichTvurcuVysledku
2
n3:pocetTvurcuVysledku
2
n3:projekt
n4:GAP208%2F10%2F1281
n3:rokUplatneniVysledku
n14:2013
n3:tvurceVysledku
Čížek, Martin Gráf, Lukáš
n3:typAkce
n21:WRD
n3:zahajeniAkce
2013-09-21+02:00
s:issn
0094-243X
s:numberOfPages
4
n18:doi
10.1063/1.4826046
n17:hasPublisher
AIP Publishing
n15:isbn
978-0-7354-1184-5
n24:organizacniJednotka
11320