Perturbation theory approach to tunneling: Direct and resonance transmission in super-exchange models

Misha Galperin*, Dvira Segal, Abraham Nitzan

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

21 Scopus citations

Abstract

In this paper we examine, within simple models, different approaches to computing tunneling probabilities in super-exchange models of electron transfer. The relationship between tunneling calculations that use scattering theory type formalisms and approaches based on standing waves, which are more closely related to electron transfer between bound donor and acceptor states, is established. Transmission probabilities computed by using truncated basis representations are compared to exact analytical or numerical results for one- and two-dimensional models. We find that while resonance tunneling is well approximated by truncated basis approaches, computing deep tunneling using such basis sets can lead to large errors. Implications for calculations of bridge assisted electron transfer are discussed.

Original languageEnglish
Pages (from-to)1569-1579
Number of pages11
JournalJournal of Chemical Physics
Volume111
Issue number4
DOIs
StatePublished - 22 Jul 1999

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