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Theoretical Study of Long-Range Electron Transport in Molecular Junctions

โœ Scribed by Nozaki, Daijiro; Girard, Yvan; Yoshizawa, Kazunari


Book ID
120329554
Publisher
American Chemical Society
Year
2008
Tongue
English
Weight
846 KB
Volume
112
Category
Article
ISSN
1932-7447

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We study the effects of electronic correlations in the transport characteristics of this molecular junction made of the two-atom molecule connected to the noninteracting leads. We compare the results of two different approaches: (1) the spin unrestricted Hartree-Fock (UHF) method and (2) equation-of