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.

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.

typ: | inproceedings |
---|---|

volume: | 1558 |

pages: | 2492 |

year: | 2013 |

pacs: | 85.65.+h, 72.10.-d, 34.50.Ez |

publisher: | AIP Publishing LLC 978-0-7354-1184-5/$30.00 |

grant: | Vibrační a disociační dynamika molekulárních systémů v elektronovém kontinuu, GAČR P208/10/1281, 2010-2014 |

files: |
---|

aipconf.proc. 1558 (2013) 2492.pdf (157.02 kB) |