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cond-mat.mes-hall2004
Path-integral Monte-Carlo simulations for electronic dynamics on molecular chains: II. Transport across impurities
Lothar Muehlbacher, Joachim Ankerhold
Electron transfer (ET) across molecular chains including an impurity is studied based on a recently improved real-time path integral Monte Carlo (PIMC) approach [J. Chem. Phys. {\b…
physics.chem-ph2004
Path-integral Monte-Carlo simulations for electronic dynamics on molecular chains: I. Sequential hopping and super exchange
L. Muehlbacher, J. Ankerhold, C. Escher
An improved real-time quantum Monte Carlo procedure is presented and applied to describe the electronic transfer dynamics along molecular chains. The model consists of discrete ele…