English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

Electron transfer (ET) across molecular chains including an impurity isstudied based on a recently improved real-time path integral Monte Carlo (PIMC)approach [J. Chem. Phys. {\bf 121}, 12696 (2004)]. The reduced electronicdynamics is studied for various bridge lengths and defect site energies. Bydetermining intersite hopping rates from PIMC simulations up to moderate times,the relaxation process in the extreme long time limit is captured within asequential transfer model. The total transfer rate is extracted and shown to beenhanced for certain defect site energies. Further, it is revealed that theentire bridge compound approaches a steady state on a much shorter time scalethan that related to the total transfer which allows for a simplifieddescription of ET along donor-bridge-acceptor systems in the long time range.Comment: 10 pages, 10 figure

Path-integral Monte Carlo simulations for electronic dynamics on molecular chains. II. Transport across impurities