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 language | English (US) |
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Pages (from-to) | 14-19 |
Number of pages | 6 |
Journal | International Journal of Quantum Chemistry |
Volume | 90 |
Issue number | 1 |
DOIs | |
State | Published - Oct 5 2002 |
Keywords
- Molecular bridge
- Molecular interfaces
- Molecular junctions
- Projection techniques
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics
- Physical and Theoretical Chemistry