Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Prediction of the derivative discontinuity in density functional theory
  from an electrostatic description of the exchange and correlation potential   We propose a new approach to approximate the exchange and correlation (XC)
functional in density functional theory. The XC potential is considered as an
electrostatic potential, generated by a fictitious XC density, which is in turn
a functional of the electronic density. We apply the approach to develop a
correction scheme that fixes the asymptotic behavior of any approximated XC
potential for finite systems. Additionally, the correction procedure gives the
value of the derivative discontinuity; therefore it can directly predict the
fundamental gap as a ground-state property.

19
The categories of this paper are: eess
22
The categories of this paper are: chao-dyn
12
The categories of this paper are: nucl-th
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The categories of this paper are: hep-lat
15
The categories of this paper are: nucl-ex
8
The categories of this paper are: hep-ex
5
The categories of this paper are: gr-qc
36
The categories of this paper are: cmp-lg
10
The categories of this paper are: q-bio
24
The categories of this paper are: dg-ga
34
The categories of this paper are: chem-ph
13
The categories of this paper are: quant-ph
16
The categories of this paper are: stat
33
The categories of this paper are: plasm-ph
21
The categories of this paper are: adap-org
9
The categories of this paper are: nlin