Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Charge Transport Properties of Molecular Junctions built from Dithiol
  Polyenes   We present a study of the charge transmission behavior of a series of dithiol
polyenes in the context of molecular junctions. Using the Landauer theory and
zero voltage approximation the Green's functions of the inserted molecules are
calculated from a fully ab initio wave function based procedure. Various
possibilities in approximating the correlation space are explored and
quantitatively evaluated. Our results show that the transmission behavior of a
molecular junction is not a monotonic function of the length of the employed
molecule. Moreover we introduce the analytic solution of a suitable model
system to countercheck the ab initio results and find a remarkable degree of
correspondence.

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The categories of this paper are: physics
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The categories of this paper are: nucl-th
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The categories of this paper are: cs
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The categories of this paper are: astro-ph
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The categories of this paper are: q-bio
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The categories of this paper are: quant-ph
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The categories of this paper are: dg-ga
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The categories of this paper are: gr-qc
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The categories of this paper are: bayes-an
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The categories of this paper are: patt-sol
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The categories of this paper are: nlin
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The categories of this paper are: hep-ex
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The categories of this paper are: funct-an
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The categories of this paper are: nucl-ex
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The categories of this paper are: alg-geom
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The categories of this paper are: plasm-ph