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The Journal of Chemical Physics

Long-range interactions of excited He atoms with the alkaline earth atoms Mg, Ca, and Sr

Jun-Yi Zhang, Jim Mitroy, Z.-C. Yan, J. F. Babb, H. R. Sadeghpour, Udo Schwingenschlögl

Published Apr 5, 2013• 1 citation
Publisher

Abstract

Dispersion coefficients for the long-range interactions of the first four excited states of He, i.e., He(2 (1, 3)S) and He(2 (1, 3)P), with the low-lying states of the alkaline earth atoms Mg, Ca, and Sr are calculated by summing over the reduced matrix elements of multipole transition operators.
DOI
10.1063/1.4794048

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Apropos to the growing interest in the study of long-range interactions which for their applications in cold atom physics, we have performed theoretical calculation for the two-dipole C6C_6C6​ and three-dipole C9C_9C9​ dispersion coefficients involving alkaline-earth atoms with alkaline-earth atoms and alkaline-earth ions. The C6C_6C6​ and C9C_9C9​ coefficients are expressed in terms of the dynamic dipole polarizabilities, which are calculated using relativistic methods. Thereafter, the calculated C6C_6C6​ coefficients for the considered alkaline-earth atoms among themselves are compared with the previously reported values. Due to unavailability of any other earlier theoretical or experimental results, for the C6C_6C6​ coefficients for alkaline-earth atoms with alkaline-earth ions and the C9C_9C9​ coefficients, we have performed separate fitting calculations and compared. Our calculations match in an excellent manner with the fitting calculations. We have also reported the oscillator strengths for the leading transitions and static dipole polarizabilities for the ground states of the alkaline-earth ions, i.e., Mg+^++, Ca+^++, Sr+^++, and Ba+^++ as well as the alkaline-earth atoms, i.e., Mg, Ca, Sr, and Ba. These, when compared with the available experimental results, show good agreement.
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Accurate knowledge of interaction potentials among the alkali-metal atoms and alkaline-earth ions is very useful in the studies of cold atom physics. Here we carry out theoretical studies of the long-range interactions among the Li, Na, K, and Rb alkali-metal atoms with the Ca+{\mathrm{Ca}}^{+}Ca+, Ba+{\mathrm{Ba}}^{+}Ba+, Sr+{\mathrm{Sr}}^{+}Sr+, and Ra+{\mathrm{Ra}}^{+}Ra+ alkaline-earth ions systematically, which are largely motivated by their importance in a number of applications. These interactions are expressed as a power series in the inverse of the internuclear separation RRR. Both the dispersion and induction components of these interactions are determined accurately from the algebraic coefficients corresponding to each power combination in the series. Ultimately, these coefficients are expressed in terms of the electric multipole polarizabilities of the above-mentioned systems, which are calculated using the matrix elements obtained from a relativistic coupled-cluster method and core contributions to these quantities from the random-phase approximation. We also compare our estimated polarizabilities with the other available theoretical and experimental results to verify accuracies in our calculations. In addition, we also evaluate the lifetimes of the first two low-lying states of the ions using the above matrix elements. Graphical representations of the dispersion coefficients versus RRR are given among all the alkaline ions with Rb.