Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Local Charge Excesses in Metallic Alloys: a Local Field Coherent
  Potential Approximation Theory   Electronic structure calculations performed on very large supercells have
shown that the local charge excesses in metallic alloys are related through
simple linear relations to the local electrostatic field resulting from
distribution of charges in the whole crystal.
  By including local external fields in the single site Coherent Potential
Approximation theory, we develop a novel theoretical scheme in which the local
charge excesses for random alloys can be obtained as the responses to local
external fields. Our model maintains all the computational advantages of a
single site theory but allows for full charge relaxation at the impurity sites.
Through applications to CuPd and CuZn alloys, we find that, as a general rule,
non linear charge rearrangements occur at the impurity site as a consequence of
the complex phenomena related with the electronic screening of the external
potential. This nothwithstanding, we observe that linear relations hold between
charge excesses and external potentials, in quantitative agreement with the
mentioned supercell calculations, and well beyond the limits of linearity for
any other site property.

21
The categories of this paper are: adap-org
11
The categories of this paper are: hep-lat
26
The categories of this paper are: bayes-an
7
The categories of this paper are: hep-th
13
The categories of this paper are: quant-ph
12
The categories of this paper are: nucl-th
32
The categories of this paper are: atom-ph
19
The categories of this paper are: eess
24
The categories of this paper are: dg-ga
17
The categories of this paper are: q-fin
34
The categories of this paper are: chem-ph
2
The categories of this paper are: math
27
The categories of this paper are: comp-gas
3
The categories of this paper are: physics
25
The categories of this paper are: patt-sol
35
The categories of this paper are: mtrl-th