Numerical computation of tunneling fluxes

Michael Galperin*, Sivan Toledo, Abraham Nitzan

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

39 Scopus citations


An overview is given on numerical techniques used to calculate single electron transmission probabilities and the associated current in molecular junctions. Focus is on examples where the potential experienced by the electron is given as a local function of position, however similar formulations for other representations are easily derived. Together, these techniques combine to yield an efficient numerical package to evaluate single electron transmission probabilities and current in molecular junctions of arbitrary geometries.

Original languageEnglish
Pages (from-to)10817-10826
Number of pages10
JournalJournal of Chemical Physics
Issue number23
StatePublished - 15 Dec 2002


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