Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Basic concepts in single-molecule electronics   This tutorial outlines the basic theoretical concepts and tools which
underpin the fundamentals of phase-coherent electron transport through single
molecules. The key quantity of interest is the transmission coefficient T(E),
which yields the electrical conductance, current-voltage relations, the
thermopower S and the thermoelectric figure of merit ZT of single-molecule
devices. Since T(E) is strongly affected by quantum interference (QI), three
manifestations of QI in single-molecules are discussed, namely Mach-Zehnder
interferometry, Breit-Wigner resonances and Fano resonances. A simple MATLAB
code is provided, which allows the novice reader to explore QI in
multi-branched structures described by a tight-binding (Huckel) Hamiltonian.
More generally, the strengths and limitations of materials-specific transport
modelling based on density functional theory are discussed.

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The categories of this paper are: math-ph
37
The categories of this paper are: supr-con
11
The categories of this paper are: hep-lat
24
The categories of this paper are: dg-ga
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The categories of this paper are: comp-gas
12
The categories of this paper are: nucl-th
0
The categories of this paper are: hep-ph
31
The categories of this paper are: ao-sci
2
The categories of this paper are: math
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The categories of this paper are: eess
1
The categories of this paper are: cs
8
The categories of this paper are: hep-ex
10
The categories of this paper are: q-bio
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The categories of this paper are: solv-int
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The categories of this paper are: mtrl-th
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The categories of this paper are: bayes-an