Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Depurated Inversion Method for Orbital-Specific Exchange Potentials   This work presents exchange potentials for specific orbitals calculated by
inverting Hartree-Fock wavefunctions. This was achieved by using a Depurated
Inversion Method. The basic idea of the method relies upon the substitution of
Hartree-Fock orbitals and eigenvalues into the Kohn-Sham equation. Through
inversion, the corresponding effective potentials were obtained. Further
treatment of the inverted potential should be carried on. The depuration is a
careful optimization which eliminates the poles and also ensures the
fullfilment of the appropriate boundary conditions. The procedure developed
here is not restricted to the ground state or to a nodeless orbital and is
applicable to all kinds of atoms. As an example, exchange potentials for noble
gases and term-dependent orbitals of the lower configuration of Nitrogen are
calculated. The method allows to reproduce the input energies and wavefunctions
with a remarkable degree of accuracy.

16
The categories of this paper are: stat
15
The categories of this paper are: nucl-ex
33
The categories of this paper are: plasm-ph
10
The categories of this paper are: q-bio
8
The categories of this paper are: hep-ex
11
The categories of this paper are: hep-lat
27
The categories of this paper are: comp-gas
12
The categories of this paper are: nucl-th
24
The categories of this paper are: dg-ga
0
The categories of this paper are: hep-ph
31
The categories of this paper are: ao-sci
20
The categories of this paper are: acc-phys
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The categories of this paper are: astro-ph
22
The categories of this paper are: chao-dyn
21
The categories of this paper are: adap-org
2
The categories of this paper are: math