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Journal of Physics B Atomic Molecular and Optical Physics

Long-range interactions between alkali Rydberg atom pairs correlated to thens–ns,np–np andnd–nd asymptotes

Kilian Singer, Jovica Stanojevic, Matthias Weidemüller, Robin Côté

Published Jan 6, 2005• 290 citations
Publisher

Abstract

We have calculated the long-range interaction potential curves of highly excited Rydberg atom pairs for the combinations Li–Li, Na–Na, K–K, Rb–Rb and Cs–Cs in a perturbative approach. The dispersion C -coefficients are determined for all symmetries of molecular states that correlate to the n s– n s, n p– n p and n d– n d asymptotes. Fitted parameters are given for the scaling of the C -coefficients as a function of the principal quantum number n for all homonuclear pairs of alkali metal atoms.

DOI
10.1088/0953-4075/38/2/021

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We have calculated the long-range interaction potential curves of highly excited Rydberg atom pairs for the combinations Li–Li, Na–Na, K–K, Rb–Rb and Cs–Cs in a perturbative approach. The dispersion C -coefficients are determined for all symmetries of molecular states that correlate to the n s– n s, n p– n p and n d– n d asymptotes. Fitted parameters are given for the scaling of the C -coefficients as a function of the principal quantum number n for all homonuclear pairs of alkali metal atoms.
The dispersion coefficients for the long-range interaction of the first four excited states of He, i.e., He(2 1,3{}^{1,3}\phantom{\rule{-0.16em}{0ex}}1,3SSS) and He(2 1,3{}^{1,3}1,3PPP), with the low-lying states of the alkali-metal atoms Li, Na, K, and Rb are calculated by summing over the reduced matrix elements of the multipole transition operators. For the interaction between He and Li the uncertainty of the calculations is 0.1--0.5%. For interactions with other alkali-metal atoms the uncertainty is 1--3% in the coefficient C5{C}_{5}C5​, 1--5% in the coefficient C6{C}_{6}C6​, and 1--10% in the coefficients C8{C}_{8}C8​ and C10{C}_{10}C10​. The dispersion coefficients Cn{C}_{n}Cn​ for the interaction of He(2 1,3{}^{1,3}\phantom{\rule{-0.16em}{0ex}}1,3SSS) and He(2 1,3{}^{1,3}1,3PPP) with the ground-state alkali-metal atoms and for the interaction of He(2 1,3{}^{1,3}\phantom{\rule{-0.16em}{0ex}}1,3SSS) with the alkali-metal atoms in their first 2{}^{2}2PPP states are presented in this Brief Report. The coefficients for other pairs of atomic states are listed in the Supplemental Material.
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.
We investigate the long-range, two-body interactions between rubidium and potassium atoms in highly excited (n=70)(n=70)(n=70) Rydberg states. After establishing properly symmetrized asymptotic basis states, we diagonalize an interaction Hamiltonian consisting of the standard Coulombic potential expansion and atomic fine structure to calculate electronic potential energy curves. We find that when both atoms are excited to either the 70s70s70s state or the 70p70p70p state, both the $\mathrm{\ensuremath{\Omega}}={0}^{+}$ symmetry interactions and the $\mathrm{\ensuremath{\Omega}}={0}^{\ensuremath{-}}$ symmetry interactions demonstrate a deep potential well capable of supporting many bound levels; the sizes of the corresponding dimer states are of the order of 2.25 $\ensuremath{\mu}\mathrm{m}$. We establish nnn-scaling relations for the equilibrium separation Re{R}_{e}Re​ and the dissociation energy De{D}_{e}De​ and find these relations to be consistent with similar calculations involving the homonuclear interactions between rubidium and cesium. We discuss the specific effects of $\ensuremath{\ell}$ mixing and the exact composition of the calculated potential well via the expansion coefficients of the asymptotic basis states. Finally, we apply a Landau-Zener treatment to show that the dimer states are stable with respect to predissociation.
The derivation of the dispersion coefficients for various symmetries of the lower nP\mathrm{nP}nP-nP\mathrm{nP}nP asymptote of the homonuclear alkali-metal dimers is presented. Using the perturbation theory the dispersion coefficients C5{C}_{5}C5​ are obtained in the first order and the C6{C}_{6}C6​ and C8{C}_{8}C8​ coefficients are obtained in the second order in terms of double sums involving atomic radial matrix elements. The sums are separated in individual contributions of each atom by using a complex integral representation. The atomic matrix elements involving Green's functions are evaluated using the Dalgarno-Lewis method. Numerical results for the C5{C}_{5}C5​, C6{C}_{6}C6​, and C8{C}_{8}C8​ dispersion coefficients for Li, Na, K, Rb, and Cs dimers are presented.
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.