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Tight-binding parameters for Al and Au have been fitted on a LDA band structure
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Tight-binding parameters for Al and Au have been fitted on a LDA band structure.
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29
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85038299060
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Additional screening comes from the polarization of the surrounding molecules. A calculation of the transverse polarizability of the molecules in LDA shows that this effect is small
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Additional screening comes from the polarization of the surrounding molecules. A calculation of the transverse polarizability of the molecules in LDA shows that this effect is small.
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30
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31
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85038337918
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The small asymmetry comes from the fact that the right and left sides of the molecule couples differently to the Al electrodes
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The small asymmetry comes from the fact that the right and left sides of the molecule couples differently to the Al electrodes.
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