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arXiv:1608.04515 · Physical Review A

Electric dipole polarizabilities of Rydberg states of alkali-metal atoms

Vladimir A. Yerokhin, Stefan Yoshi Buhmann, S. Fritzsche, A. Surzhykov

Published Sep 6, 2016• 31 citations
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Abstract

Calculations of the static electric-dipole scalar and tensor polarizabilities are presented for two alkali-metal atoms, Rb and Cs, for the $nS, n{P}_{\textonehalf{},\phantom{\rule{0.16em}{0ex}}3/2}$, and $n{D}_{3/2,\phantom{\rule{0.16em}{0ex}}5/2}$ states with large principal quantum numbers up to $n=50$. The calculations are performed within an effective one-electron approximation, based on the Dirac-Fock Hamiltonian with a semiempirical core-polarization potential. The obtained results are compared with those from a simpler semiempirical approach and with available experimental data.

DOI
10.1103/physreva.94.032503

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Calculations of the static electric-dipole scalar and tensor polarizabilities are presented for two alkali-metal atoms, Rb and Cs, for the nS,nP\textonehalf,3/2nS, n{P}_{\textonehalf{},\phantom{\rule{0.16em}{0ex}}3/2}nS,nP\textonehalf,3/2​, and nD3/2,5/2n{D}_{3/2,\phantom{\rule{0.16em}{0ex}}5/2}nD3/2,5/2​ states with large principal quantum numbers up to n=50n=50n=50. The calculations are performed within an effective one-electron approximation, based on the Dirac-Fock Hamiltonian with a semiempirical core-polarization potential. The obtained results are compared with those from a simpler semiempirical approach and with available experimental data.
Up to the present, although experimental studies about the polarizabilities of alkali-metal Rydberg atoms have involved the states with principal quantum numbers $n\ensuremath{\le}80$, theoretical calculations are limited to the states with $n\ensuremath{\le}50$. In this work, we calculate the scalar and tensor polarizabilities of the nS1/2n{S}_{1/2}nS1/2​, nP1/2,3/2n{P}_{1/2,3/2}nP1/2,3/2​, and nD3/2,5/2n{D}_{3/2,5/2}nD3/2,5/2​ Rydberg states of Rb with principal quantum number nnn up to 140 employing a model potential and the BBB-spline expansion technique. We obtain the polarizabilities that are in good agreement with the existing theoretical and experimental data.
The rapid development of experimental techniques to produce ultracold alkali molecules opens the ways to manipulate them and to control their dynamics using external electric fields. A prerequisite quantity for such studies is the knowledge of their static dipole polarizability. In this paper, we computed the variations with internuclear distance and with vibrational index of the static dipole polarizability components of all homonuclear alkali dimers including Fr(2), and of all heteronuclear alkali dimers involving Li to Cs, in their electronic ground state and in their lowest triplet state. We use the same quantum chemistry approach as in our work on dipole moments [Aymar and Dulieu, J. Chem. Phys. 122, 204302 (2005)], based on pseudopotentials for atomic core representation, Gaussian basis sets, and effective potentials for core polarization. Polarizabilities are extracted from electronic energies using the finite-field method. For the heaviest species Rb(2), Cs(2), and Fr(2) and for all heteronuclear alkali dimers, such results are presented for the first time. The accuracy of our results on atomic and molecular static dipole polarizabilities is discussed by comparing our values with the few available experimental data and elaborate calculations. We found that for all alkali pairs, the parallel and perpendicular components of the ground state polarizabilities at the equilibrium distance R(e) scale as (R(e))(3), which can be related to a simple electrostatic model of an ellipsoidal charge distribution. Prospects for possible alignment and orientation effects with these molecules in forthcoming experiments are discussed.
We report a comprehensive set of calculations of the lifetimes of Rydberg states in alkali-metal atoms, using realistic potentials to represent the atomic core. The effects due to core polarizability, spin-orbit interaction, and blackbody radiation are explicitly included. A complete cross reference listing of all available experimental lifetimes is also attempted. The results compare well with experiment for all principal quantum numbers nnn examined and should provide guidance for future experimental investigations. The relation of the present approach to other works is discussed.
We present revised measurements of the static electric dipole polarizabilities of K, Rb, and Cs based on atom interferometer experiments presented in [Phys. Rev. A 2015, 92, 052513] but now re-analyzed with new calibrations for the magnitude and geometry of the applied electric field gradient. The resulting polarizability values did not change, but the uncertainties were significantly reduced. Then we interpret several measurements of alkali metal atomic polarizabilities in terms of atomic oscillator strengths fikf_{ik}fik​, Einstein coefficients AikA_{ik}Aik​, state lifetimes τkτ_{k}τk​, transition dipole matrix elements DikD_{ik}Dik​, line strengths SikS_{ik}Sik​, and van der Waals C6C_6C6​ coefficients. Finally, we combine atom interferometer measurements of polarizabilities with independent measurements of lifetimes and C6C_6C6​ values in order to quantify the residual contribution to polarizability due to all atomic transitions other than the principal nsnsns-npJnp_JnpJ​ transitions for alkali metal atoms.
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.