Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Calculation of two-centre two-electron integrals over Slater-type
  orbitals revisited. III. Case study of the beryllium dimer   In this paper we present results of ab-initio calculations for the beryllium
dimer with basis set of Slater-type orbitals (STOs). Nonrelativistic
interaction energy of the system is determined using the frozen-core full
configuration interaction calculations combined with high-level coupled cluster
correction for inner-shell effects. Newly developed STOs basis sets, ranging in
quality from double to sextuple zeta, are used in these computations.
Principles of their construction are discussed and several atomic benchmarks
are presented. Relativistic effects of order ${\alpha}^2$ are calculated
perturbatively by using the Breit-Pauli Hamiltonian and are found to be
significant. We also estimate the leading-order QED effects. Influence of the
adiabatic correction is found to be negligible. Finally, the interaction energy
of the beryllium dimer is determined to be 929.0$\,\pm\,$1.9 $cm^{-1}$, in a
very good agreement with the recent experimental value. The results presented
here appear to be the most accurate ab-initio calculations for the beryllium
dimer available in the literature up to date and probably also one of the most
accurate calculations for molecular systems containing more than four
electrons.

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The categories of this paper are: bayes-an
0
The categories of this paper are: hep-ph
34
The categories of this paper are: chem-ph
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The categories of this paper are: comp-gas
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The categories of this paper are: patt-sol
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The categories of this paper are: solv-int
33
The categories of this paper are: plasm-ph
9
The categories of this paper are: nlin
11
The categories of this paper are: hep-lat
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The categories of this paper are: nucl-ex
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The categories of this paper are: chao-dyn
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The categories of this paper are: cs
10
The categories of this paper are: q-bio
8
The categories of this paper are: hep-ex
18
The categories of this paper are: econ
32
The categories of this paper are: atom-ph