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Zero-bias molecular electronics: Exchange-correlation corrections to Landauer's formula

Kieron Burke·Max Koentopp·Ferdinand Evers
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Abstract

Standard first principles calculations of transport through single molecules miss exchange-correlation corrections to the Landauer formula. From Kubo response theory, both the Landauer formula and these corrections in the limit of zero bias are derived and calculations are presented.

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Kieron Burke, Max Koentopp, Ferdinand Evers. 2006-03-08. Zero-bias molecular electronics: Exchange-correlation corrections to Landauer's formula. https://doi.org/10.1103/physrevb.73.121403

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