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arXiv · 1108.1039

Reply to Comment on "Critical analysis of a variational method used to describe molecular electron transport"

Ioan Baldea·Horst Köppel
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Abstract

We show that the failure of the Delaney-Greer (DG) variational ansatz for transport demonstrated by us in Phys.\ Rev.\ B {\bf 80}, 165301 (2009) (I) is not related to an unsuitable constraint that prevents a broken time-reversal symmetry or to real orbitals, as DG incorrectly claim. The complex orbitals suggested by them as a way-out solution merely represent a particular case of the general case considered by us in I, which do not in the least affect our conclusion.

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Ioan Baldea, Horst Köppel. 2011-08-04. Reply to Comment on "Critical analysis of a variational method used to describe molecular electron transport". https://doi.org/10.1103/physrevb.84.037305

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