Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Importance of complex orbitals in calculating the
  self-interaction-corrected ground state of atoms   The ground state of atoms from H to Ar was calculated using a
self-interaction correction to local and gradient dependent density
functionals. The correction can significantly improve the total energy and
makes the orbital energies consistent with ionization energies. However, when
the calculation is restricted to real orbitals, application of the
self-interaction correction can give significantly higher total energy and
worse results, as illustrated by the case of the Perdew-Burke-Ernzerhof
gradient dependent functional. This illustrates the importance of using complex
orbitals for systems described by orbital density dependent energy functionals.

7
The categories of this paper are: hep-th
4
The categories of this paper are: cond-mat
10
The categories of this paper are: q-bio
8
The categories of this paper are: hep-ex
32
The categories of this paper are: atom-ph
16
The categories of this paper are: stat
20
The categories of this paper are: acc-phys
1
The categories of this paper are: cs
18
The categories of this paper are: econ
37
The categories of this paper are: supr-con
36
The categories of this paper are: cmp-lg
29
The categories of this paper are: funct-an
2
The categories of this paper are: math
25
The categories of this paper are: patt-sol
35
The categories of this paper are: mtrl-th
24
The categories of this paper are: dg-ga