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Physical Review A

Long-range diagonal adiabatic corrections for the ground molecular state of alkali-metal dimers

M. Marinescu, A. Dalgarno

Published Mar 1, 1998• 12 citations
Publisher

Abstract

We study long-range diagonal adiabatic corrections to the interaction potentials of the ground state of homonuclear alkali-metal dimers. We show that in the long-range limit the diagonal adiabatic matrix elements may be expressed as a series of inverse powers of the internuclear distance. Each of the nonzero coefficients of this expansion is a mass-dependent correction term to the dispersion coefficients. They are computed by using a complex integral representation, that transforms the molecular problem into an atomic one. Numerical results are presented.

DOI
10.1103/physreva.57.1821

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Long-range potentials for two-species alkali-metal atoms

M. Marinescu, H. R. Sadeghpour

We address a growing interest in trapping and cooling of mixed-species alkali-metal atoms. Long-range coefficients that arise in the multipole expansion of molecular potentials for unlike alkali-metal dimers are calculated. The coefficients for the heteronuclear alkali-metal dimers corresponding to different molecular symmetries that separate to $\mathrm{nS}\ensuremath{-}{n}^{\ensuremath{'}}S,nS\ensuremath{-}{n}^{\ensuremath{'}}P,nS\ensuremath{-}{n}^{\ensuremath{'}}D,$ and $\mathrm{nP}\ensuremath{-}{n}^{\ensuremath{'}}P$ atomic levels are computed with high precision. We consider cases where in the infinite separation limit, one atom is in the ground state and the other is in one of the lowest S, P, and D excited states and both atoms are in their lowest excited P states. We find the long-range potentials for $\mathrm{Rb}(5S)\ensuremath{-}\mathrm{C}\mathrm{s}(6S),\mathrm{Rb}(6S)\ensuremath{-}\mathrm{C}\mathrm{s}(6S),\mathrm{K}(4S)\ensuremath{-}\mathrm{R}\mathrm{b}(5P){ }^{1,3}\ensuremath{\Sigma},\mathrm{K}(4P)\ensuremath{-}\mathrm{C}\mathrm{s}(6P){ }^{1,3}\ensuremath{\Sigma},$ and $\mathrm{Rb}(5S)\ensuremath{-}\mathrm{N}\mathrm{a}(3D){ }^{1,3}\ensuremath{\Sigma}$ molecules to be the most attractive. The $\mathrm{K}(4S)\ensuremath{-}\mathrm{R}\mathrm{b}(5P)$ dimer represents the best candidate molecule for ultracold photoassociative spectroscopy. We also find the $\mathrm{K}(4P)\ensuremath{-}\mathrm{C}\mathrm{s}(6P)$ and $\mathrm{Rb}(5S)\ensuremath{-}\mathrm{K}(4P)$ dimers to form, respectively, the most attractive and the most repulsive long-range potentials. The present calculation is in good agreement with experimentally determined value for the ${1/R}^{6}$ van der Waals coefficient for the interaction between $\mathrm{Cs}(6S)$ and $\mathrm{Li}(2P)$ atoms.

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Properties of alkali-metal atoms and alkaline-earth-metal ions for an accurate estimate of their long-range interactions

Jasmeet Kaur, D. K. Nandy, Bindiya Arora +1 more

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 ${\mathrm{Ca}}^{+}$, ${\mathrm{Ba}}^{+}$, ${\mathrm{Sr}}^{+}$, and ${\mathrm{Ra}}^{+}$ 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 $R$. 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 $R$ are given among all the alkaline ions with Rb.

Physical Review A•Jan 8, 2015•40 citations
We study long-range diagonal adiabatic corrections to the interaction potentials of the ground state of homonuclear alkali-metal dimers. We show that in the long-range limit the diagonal adiabatic matrix elements may be expressed as a series of inverse powers of the internuclear distance. Each of the nonzero coefficients of this expansion is a mass-dependent correction term to the dispersion coefficients. They are computed by using a complex integral representation, that transforms the molecular problem into an atomic one. Numerical results are presented.
Knowledge of the long-range interaction between atoms and molecules is of fundamental importance for low-energy and low-temperature collisions. The electronic interaction between the charge distributions of two ground-state alkali-metal atoms can be expanded in inverse powers of R, the internuclear distance. The coefficients C6{\mathit{C}}_{6}C6​, C8{\mathit{C}}_{8}C8​, and C10{\mathit{C}}_{10}C10​ of, respectively, the ${\mathit{R}}^{\mathrm{\ensuremath{-}}6}$, ${\mathit{R}}^{\mathrm{\ensuremath{-}}8}$, and ${\mathit{R}}^{\mathrm{\ensuremath{-}}10}$ terms are calculated by integrating the products of the dynamic electric multipole polarizabilities of the individual atoms at imaginary frequencies, which are in turn obtained by solving two coupled inhomogeneous differential equations. Precise one-electron model potentials are developed to represent the motion of the valence electron in the field of the closed alkali-metal positive-ion core. The numerical results for the static multipole polarizabilities for the alkali-metal atoms and the coefficients C6{\mathit{C}}_{6}C6​, C8{\mathit{C}}_{8}C8​, and C10{\mathit{C}}_{10}C10​ for homonuclear and heteronuclear alkali-metal diatoms are compared with other calculations.
The long-range asymptotic form of the interaction potential surface for three neutral alkali-metal atoms in their ground states may be expressed as an expansion in inverse powers of inter-nuclear distances. The first leading powers are proportional to the dispersion coefficients for pairwise atomic interactions. They are followed by a term responsible for a three body dipole interaction. The authors results consist in evaluation of the three body dipole interaction coefficient between three alkali-metal atoms. The generalization to long-range n atom interaction terms will be discussed qualitatively.
A complete description of the multipolar Casimir-Polder effects between two alkali-metal atoms in the ground state is presented. We give both general and particular expressions for the electric-electric, electric-magnetic, magnetic-magnetic, diamagnetic-electric, and diamagnetic-magnetic two-photon multipole processes, many of which have not been discussed previously in literature, to our knowledge. The asymptotic behavior of the Casimir-Polder potential is studied in terms of the K7,K9,{K}_{7}, {K}_{9},K7​,K9​, and K11{K}_{11}K11​ long-range coefficients. We have established the range of validity of the Casimir-Polder potential by analyzing the first-order correction to the energy given by the matrix element of the contact interaction term between the atomic charge distributions. Numerical values for the Casimir-Polder long-range interaction potentials for both homonuclear and heteronuclear alkali-metal dimers are presented. Comparisons with previous analytical and numerical results are included.
A complete description of the multipolar Casimir-Polder effects between two alkali-metal atoms in the ground state is presented. We give both general and particular expressions for the electric-electric, electric-magnetic, magnetic-magnetic, diamagnetic-electric, and diamagnetic-magnetic two-photon multipole processes, many of which have not been discussed previously in literature, to our knowledge. The asymptotic behavior of the Casimir-Polder potential is studied in terms of the K7,K9,{K}_{7}, {K}_{9},K7​,K9​, and K11{K}_{11}K11​ long-range coefficients. We have established the range of validity of the Casimir-Polder potential by analyzing the first-order correction to the energy given by the matrix element of the contact interaction term between the atomic charge distributions. Numerical values for the Casimir-Polder long-range interaction potentials for both homonuclear and heteronuclear alkali-metal dimers are presented. Comparisons with previous analytical and numerical results are included.
We address a growing interest in trapping and cooling of mixed-species alkali-metal atoms. Long-range coefficients that arise in the multipole expansion of molecular potentials for unlike alkali-metal dimers are calculated. The coefficients for the heteronuclear alkali-metal dimers corresponding to different molecular symmetries that separate to $\mathrm{nS}\ensuremath{-}{n}^{\ensuremath{'}}S,nS\ensuremath{-}{n}^{\ensuremath{'}}P,nS\ensuremath{-}{n}^{\ensuremath{'}}D,$ and $\mathrm{nP}\ensuremath{-}{n}^{\ensuremath{'}}P$ atomic levels are computed with high precision. We consider cases where in the infinite separation limit, one atom is in the ground state and the other is in one of the lowest S, P, and D excited states and both atoms are in their lowest excited P states. We find the long-range potentials for $\mathrm{Rb}(5S)\ensuremath{-}\mathrm{C}\mathrm{s}(6S),\mathrm{Rb}(6S)\ensuremath{-}\mathrm{C}\mathrm{s}(6S),\mathrm{K}(4S)\ensuremath{-}\mathrm{R}\mathrm{b}(5P){ }^{1,3}\ensuremath{\Sigma},\mathrm{K}(4P)\ensuremath{-}\mathrm{C}\mathrm{s}(6P){ }^{1,3}\ensuremath{\Sigma},$ and $\mathrm{Rb}(5S)\ensuremath{-}\mathrm{N}\mathrm{a}(3D){ }^{1,3}\ensuremath{\Sigma}$ molecules to be the most attractive. The $\mathrm{K}(4S)\ensuremath{-}\mathrm{R}\mathrm{b}(5P)$ dimer represents the best candidate molecule for ultracold photoassociative spectroscopy. We also find the $\mathrm{K}(4P)\ensuremath{-}\mathrm{C}\mathrm{s}(6P)$ and $\mathrm{Rb}(5S)\ensuremath{-}\mathrm{K}(4P)$ dimers to form, respectively, the most attractive and the most repulsive long-range potentials. The present calculation is in good agreement with experimentally determined value for the 1/R6{1/R}^{6}1/R6 van der Waals coefficient for the interaction between Cs(6S)\mathrm{Cs}(6S)Cs(6S) and Li(2P)\mathrm{Li}(2P)Li(2P) atoms.
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.