Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Asymptotic self-consistency in quantum transport calculations   Ab-initio simulations of quantum transport commonly focus on a central region
which is considered to be connected to infinite, periodic leads through which
the current flows. The electronic structure of these distant leads is normally
obtained from an equilibrium calculation, ignoring the self-consistent response
of the leads to the current. We examine the consequences of this, and show that
the electrostatic potential is effectively being approximated by the difference
between electrochemical potentials and that this approximation is incompatible
with asymptotic charge neutrality. In a test calculation for a simple
metal-vacuum-metal junction, we find large errors in the non-equilibrium
properties calculated with this approximation, in the limit of small vacuum
gaps. We provide a simple scheme by which these errors may be corrected.

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The categories of this paper are: hep-th
14
The categories of this paper are: math-ph
1
The categories of this paper are: cs
26
The categories of this paper are: bayes-an
27
The categories of this paper are: comp-gas
30
The categories of this paper are: q-alg
5
The categories of this paper are: gr-qc
10
The categories of this paper are: q-bio
37
The categories of this paper are: supr-con
33
The categories of this paper are: plasm-ph
28
The categories of this paper are: alg-geom
11
The categories of this paper are: hep-lat
19
The categories of this paper are: eess
20
The categories of this paper are: acc-phys
29
The categories of this paper are: funct-an
18
The categories of this paper are: econ