Partitioning technique and transport across molecular interfaces

Many-body effects

Vladimiro Mujica, Mark A Ratner, Osvaldo Goscinski

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

We review the theory of transport across molecular interfaces within the framework of the partitioning and inner projection techniques, developed by Per-Olov Löwdin. Using a one-particle approximation to the many-body equation for the current in a system consisting of a molecular bridge and two electrodes, it is shown that the idea of partitioning can be used advantageously to define a self-energy that contains the coupling of the molecule to the electrodes. Inner projections are then introduced as a systematic way of including electron correlation effects in the transport across molecular junctions.

Original languageEnglish
Pages (from-to)14-19
Number of pages6
JournalInternational Journal of Quantum Chemistry
Volume90
Issue number1
DOIs
Publication statusPublished - Oct 5 2002

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Keywords

  • Molecular bridge
  • Molecular interfaces
  • Molecular junctions
  • Projection techniques

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Partitioning technique and transport across molecular interfaces : Many-body effects. / Mujica, Vladimiro; Ratner, Mark A; Goscinski, Osvaldo.

In: International Journal of Quantum Chemistry, Vol. 90, No. 1, 05.10.2002, p. 14-19.

Research output: Contribution to journalArticle

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