Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Rovibrational dynamics of the strontium molecule in the A^1\Sigma_u^+,
  c^3\Pi_u, and a^3\Sigma_u^+ manifold from state-of-the-art ab initio
  calculations   State-of-the-art ab initio techniques have been applied to compute the
potential energy curves for the electronic states in the A^1\Sigma_u^+,
c^3\Pi_u, and a^3\Sigma_u^+ manifold of the strontium dimer, the spin-orbit and
nonadiabatic coupling matrix elements between the states in the manifold, and
the electric transition dipole moment from the ground X^1\Sigma_g^+ to the
nonrelativistic and relativistic states in the A+c+a manifold. The potential
energy curves and transition moments were obtained with the linear response
(equation of motion) coupled cluster method limited to single, double, and
linear triple excitations for the potentials and limited to single and double
excitations for the transition moments. The spin-orbit and nonadiabatic
coupling matrix elements were computed with the multireference configuration
interaction method limited to single and double excitations. Our results for
the nonrelativistic and relativistic (spin-orbit coupled) potentials deviate
substantially from recent ab initio calculations. The potential energy curve
for the spectroscopically active (1)0_u^+ state is in quantitative agreement
with the empirical potential fitted to high-resolution Fourier transform
spectra [A. Stein, H. Knoeckel, and E. Tiemann, Eur. Phys. J. D 64, 227
(2011)]. The computed ab initio points were fitted to physically sound
analytical expressions, and used in converged coupled channel calculations of
the rovibrational energy levels in the A+c+a manifold and line strengths for
the A^1\Sigma_u^+ <-- X^1\Sigma_g^+ transitions. Positions and lifetimes of
quasi-bound Feshbach resonances lying above the ^1S + ^3P_1 dissociation limit
were also obtained. Our results reproduce (semi)quantitatively the experimental
data observed thus far. Predictions for on-going and future experiments are
also reported.

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The categories of this paper are: chem-ph
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The categories of this paper are: dg-ga
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The categories of this paper are: hep-ex
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The categories of this paper are: cmp-lg
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The categories of this paper are: gr-qc
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The categories of this paper are: nucl-ex
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The categories of this paper are: comp-gas
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The categories of this paper are: stat
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The categories of this paper are: q-bio
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The categories of this paper are: math-ph
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The categories of this paper are: bayes-an
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The categories of this paper are: alg-geom
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The categories of this paper are: acc-phys
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The categories of this paper are: cond-mat
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The categories of this paper are: hep-ph
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The categories of this paper are: plasm-ph