Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Method of evaluating chemical shifts of X-ray emission lines in
  molecules and solids   Method of evaluating chemical shifts of X-ray emission lines for sufficiently
heavy atoms (beginning from period 4 elements) in chemical compounds is
developed. This method is based on the pseudopotential model and one-center
restoration method (to reconstruct the proper electronic structure in
heavy-atom cores). The approximations of instantaneous transition and frozen
inner core spinors of the atom are used for derivation of an expression for
chemical shift as a difference between mean values of some effective operator.
The method allows one to avoid evaluating small values (chemical shifts ~$
0.01{-}1$ eV) as differences of very large values (transition energies ~
$1{-}100$ keV in various compounds). The results of our calculations of
chemical shifts for the $K\alpha_1$, $K\alpha_2$, and L transitions of the
group 14 metal cations with respect to neutral atoms are presented. The
calculations of chemical shift of $K\alpha_1$-line in the Pb-core transition
within PbO and PbF$_2$ with respect to the neutral Pb are also performed and
discussed. The accuracy of the used approximations is discussed and quality of
the performed calculations is analyzed.

6
The categories of this paper are: astro-ph
31
The categories of this paper are: ao-sci
9
The categories of this paper are: nlin
24
The categories of this paper are: dg-ga
35
The categories of this paper are: mtrl-th
14
The categories of this paper are: math-ph
22
The categories of this paper are: chao-dyn
16
The categories of this paper are: stat
33
The categories of this paper are: plasm-ph
30
The categories of this paper are: q-alg
36
The categories of this paper are: cmp-lg
29
The categories of this paper are: funct-an
26
The categories of this paper are: bayes-an
15
The categories of this paper are: nucl-ex
37
The categories of this paper are: supr-con
1
The categories of this paper are: cs