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- W1767664413 abstract "We report textit{ab initio} calculations of the X $^2 Sigma_{u}^+$, A $^2Pi_u$ and B $^2 Sigma_{g}^+$ states of the Ca$_{2}^+$ dimer. All electron CAS+MRCI calculations are performed for the X $^2 Sigma_{u}^+$ and B $^2 Sigma_{g}^+$ states, while valence CAS+MRCI calculations using an effective core potential are used to describe the A $^2Pi_u$ state. A double well is found in the B $^2 Sigma_{g}^+$ state. Spectroscopic constants, vibrational levels, transition moments and radiative lifetimes are calculated for the most abundant isotope of calcium ($^{40}$Ca). The static dipole and quadrupole polarizabilities, and the leading order van der Waals coefficients are also calculated for all three states." @default.
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- W1767664413 date "2012-07-01" @default.
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- W1767664413 title "Ab initio potential curves for the <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML altimg=si62.gif overflow=scroll><mml:mrow><mml:mi mathvariant=normal>X</mml:mi><mml:mspace width=0.35em /><mml:msup><mml:mrow /><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup><mml:msubsup><mml:mrow><mml:mi mathvariant=normal>Σ</mml:mi></mml:mrow><mml:mrow><mml:mi>u</mml:mi></mml:mrow><mml:mrow><mml:mo>+</mml:mo></mml:mrow></mml:msubsup></mml:mrow></mml:math>, <mml:math xmlns:mml=http://www.…" @default.
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- W1767664413 doi "https://doi.org/10.1016/j.cplett.2012.06.011" @default.
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