Kohn-Sham master equation approach to transport through single molecules

R. Gebauer; K. Burke; Roberto Car

doi:10.1007/3-540-35426-3_31

Kohn-Sham master equation approach to transport through single molecules

R. Gebauer, K. Burke, Roberto Car

Research output: Chapter in Book/Report/Conference proceeding › Chapter

15 Scopus citations

Abstract

In recent years it has become possible to study experimentally charge transport through single molecules [Nitzan 2003]. Typically, the devices in which such experiments can be realized consist of metal-molecule-metal junctions, where two metallic leads are connected by some molecule. Such junctions are expected to be at the basis of future molecular-based electronic devices. But apart from technological applications, these experiments can also be taken as a basis for understanding electron tunneling in general.

Original language	English (US)
Title of host publication	Time-Dependent Density Functional Theory
Editors	Miguel Marques, Fernando Nogueira, Carsten Ullrich, Angel Rubio, Kieron Burke, Eberhard Gross
Pages	463-477
Number of pages	15
DOIs	https://doi.org/10.1007/3-540-35426-3_31
State	Published - 2006

Publication series

Name	Lecture Notes in Physics
Volume	706
ISSN (Print)	0075-8450

All Science Journal Classification (ASJC) codes

Physics and Astronomy (miscellaneous)

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10.1007/3-540-35426-3_31

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abstract = "In recent years it has become possible to study experimentally charge transport through single molecules [Nitzan 2003]. Typically, the devices in which such experiments can be realized consist of metal-molecule-metal junctions, where two metallic leads are connected by some molecule. Such junctions are expected to be at the basis of future molecular-based electronic devices. But apart from technological applications, these experiments can also be taken as a basis for understanding electron tunneling in general.",

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Kohn-Sham master equation approach to transport through single molecules. / Gebauer, R.; Burke, K.; Car, Roberto.
Time-Dependent Density Functional Theory. ed. / Miguel Marques; Fernando Nogueira; Carsten Ullrich; Angel Rubio; Kieron Burke; Eberhard Gross. 2006. p. 463-477 (Lecture Notes in Physics; Vol. 706).

Research output: Chapter in Book/Report/Conference proceeding › Chapter

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AU - Burke, K.

AU - Car, Roberto

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AB - In recent years it has become possible to study experimentally charge transport through single molecules [Nitzan 2003]. Typically, the devices in which such experiments can be realized consist of metal-molecule-metal junctions, where two metallic leads are connected by some molecule. Such junctions are expected to be at the basis of future molecular-based electronic devices. But apart from technological applications, these experiments can also be taken as a basis for understanding electron tunneling in general.

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Kohn-Sham master equation approach to transport through single molecules

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