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

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2011-08-04

arxiv.org/abs/1108.1039v1

Phys. Rev. B 84 (3) 037305 (2011)

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

Manuscript as submitted to Phys. Rev. B on 30 November 2010. Sections VII, VIII, and IX present significant details, which enl

Scientific paper

10.1103/PhysRevB.84.037305

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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