Electron tunneling dynamics in anharmonic bath.
J Chem Phys
; 122(4): 44501, 2005 Jan 22.
Article
em En
| MEDLINE
| ID: mdl-15740261
Tunneling transition probability for a particle interacting with an anharmonic bath is found in a time-dependent Hartree approximation. The general expression is presented in terms of medium Keldysh functions that are assumed to be known. Furthermore, the transition probability is calculated in the noninteracting-blip approximation where the rate constant does not exhibit an activation dependence at high temperatures. The reorganization energy E(r) and the renormalized reaction heat epsilon are expressed in terms of the correlation matrix for a solvent and internal modes in both quantum and classical regimes. It is shown that E(r) and epsilon are temperature dependent.
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2005
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Article