Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: First-principle interaction potentials for metastable He($^3$S) and
  Ne($^3$P) with closed-shell molecules. Application to Penning-Ionizing
  systems   We present new interaction potential curves, calculated from first-principle,
for the He$(^3$S)$...$H$_2$ and He$(^3$S)$...$Ar systems, relevant in Penning's
ionization experiments. Two different approaches were applied: supermolecular
using coupled cluster theory (CC) and perturbational within symmetry-adapted
perturbation theory (SAPT). Both methods gave consistent results and the
potentials were used to determine the positions of shape resonances in low
collision energy scattering regime. We found a good agreement with the most
recent scattering experiment of Henson {\em et al.} [Science {\bf 338}, 234
(2012)].
  In addition, we investigated two other dimers, composed of metastable Ne and
ground state He and Ar atoms. For the Ne$(^3$P)$...$He system a good agreement
between CC and SAPT approaches was obtained. The Ne$(^3$P)$...$Ar dimer was
described only with SAPT, as CC gave divergent results. Ne$^*$ systems exhibit
extremely small electronic orbital angular momentum anisotropy of the
potentials. We attribute this effect to the screening of the open 2$p$ shell by
the singly occupied 3$s$ shell.

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The categories of this paper are: adap-org
6
The categories of this paper are: astro-ph
0
The categories of this paper are: hep-ph
32
The categories of this paper are: atom-ph
35
The categories of this paper are: mtrl-th
28
The categories of this paper are: alg-geom
7
The categories of this paper are: hep-th
9
The categories of this paper are: nlin
25
The categories of this paper are: patt-sol
27
The categories of this paper are: comp-gas
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The categories of this paper are: plasm-ph
31
The categories of this paper are: ao-sci
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The categories of this paper are: dg-ga
15
The categories of this paper are: nucl-ex
1
The categories of this paper are: cs
18
The categories of this paper are: econ