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arXiv:1605.05015

Dispersion coefficients for the interaction of inert gas atoms with alkali and alkaline earth ions and alkali atoms with their singly ionized ions

Sukhjit Singh Sehra, Kiranpreet Kaur, B. K. Sahoo, Bindiya Arora

Published May 17, 2016• 1 citation
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Abstract

We report the dispersion coefficients for the interacting inert gas atoms with the alkali ions, alkaline earth ions and alkali atoms with their singly charged ions. We use our relativistic coupled-cluster method to determine dynamic dipole and quadrupole polarizabilities of the alkali atoms and singly ionized alkaline earth atoms, whereas a relativistic random phase approximation approach has been adopted to evaluate these quantities for the closed-shell configured inert gas atoms and the singly and doubly ionized alkali and alkaline earth atoms, respectively. Accuracies of these results are adjudged from the comparison of their static polarizability values with their respective experimental results. These polarizabilities are further compared with the other theoretical results. Reason for the improvement in the accuracies of our estimated dispersion coefficients than the data listed in [At. Data and Nucl. Data Tables 101, 58 (2015)] are discussed. Results for some of the atom-ion interacting systems were not available earlier, these results and the other reported improved results will be very useful for the comprehensive understanding of the collisional physics involving these atom-atom and atom-ion interactions in the cold atom and atom-ion hybrid trapping experiments at the low-temperature regime.

DOI
10.48550/arxiv.1605.05015

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We report the dispersion coefficients for the interacting inert gas atoms with the alkali ions, alkaline earth ions and alkali atoms with their singly charged ions. We use our relativistic coupled-cluster method to determine dynamic dipole and quadrupole polarizabilities of the alkali atoms and singly ionized alkaline earth atoms, whereas a relativistic random phase approximation approach has been adopted to evaluate these quantities for the closed-shell configured inert gas atoms and the singly and doubly ionized alkali and alkaline earth atoms, respectively. Accuracies of these results are adjudged from the comparison of their static polarizability values with their respective experimental results. These polarizabilities are further compared with the other theoretical results. Reason for the improvement in the accuracies of our estimated dispersion coefficients than the data listed in [At. Data and Nucl. Data Tables 101, 58 (2015)] are discussed. Results for some of the atom-ion interacting systems were not available earlier, these results and the other reported improved results will be very useful for the comprehensive understanding of the collisional physics involving these atom-atom and atom-ion interactions in the cold atom and atom-ion hybrid trapping experiments at the low-temperature regime.
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.
Accurate knowledge of interaction potentials among the alkali 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 atoms with the Ca+^++, Ba+^++, Sr+^++, and 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 representation of the interaction potentials versus RRR are given among all the considered atoms and ions.
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.
Apropos of the growing interest in the study of long-range interactions for their applications in cold-atom physics, we perform theoretical calculations for the two-dipole C6{C}_{6}C6​ and three-dipole C9{C}_{9}C9​ dispersion coefficients involving alkaline-earth-metal atoms with alkaline-earth-metal atoms and alkaline-earth-metal ions. The C6{C}_{6}C6​ and C9{C}_{9}C9​ coefficients are expressed in terms of the dynamic dipole polarizabilities, which are calculated using relativistic methods. Thereafter, the calculated C6{C}_{6}C6​ coefficients for the considered alkaline-earth-metal atoms are compared with previously reported values. Due to unavailability of any other earlier theoretical or experimental results, for the C6{C}_{6}C6​ coefficients for alkaline-earth-metal atoms with alkaline-earth-metal ions and the C9{C}_{9}C9​ coefficients we perform separate fitting calculations and compare the results. Our calculations match in an excellent manner with the fitting calculations. We also report the oscillator strengths for the leading transitions and static dipole polarizabilities for the ground states of the alkaline-earth-metal ions, i.e., Be+,Mg+,Ca+,Sr+{\mathrm{Be}}^{+}, {\mathrm{Mg}}^{+}, {\mathrm{Ca}}^{+}, {\mathrm{Sr}}^{+}Be+,Mg+,Ca+,Sr+, and Ba+{\mathrm{Ba}}^{+}Ba+, as well as the alkaline-earth-metal atoms, i.e., Be, Mg, Ca, Sr, and Ba. These show good agreement when compared with the available experimental results.
The van der Waals coefficients for the alkali-metal atoms from Na to Fr interacting in their ground states are calculated using relativistic ab initio methods. The accuracy of the calculations is estimated by also evaluating atomic static electric-dipole polarizabilities and coefficients for the interaction of the atoms with a perfectly conducting wall. The results are in excellent agreement with the latest data from studies of magnetic field induced Feshbach resonances in ultracold collisions of Na and of Rb atoms. For Cs we provide critically needed data for ultracold collision studies.