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arXiv:1307.2654

Long range interactions of ytterbium in mixed quantum gases

S. G. Porsev, Marianna S. Safronova, Andrei Derevianko, Charles W. Clark

Published Jul 10, 2013• 0 citations
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Abstract

We present methods for accurate evaluation of van der Waals coefficients of dimers with excited atoms that have a strong decay channel. We calculate C_6 coefficients for the Yb-Yb 1S_0+ 3P_{0,1}, 3P_0+3P_0 and Yb-Rb 3P_1+5s, 1S_0+ 5p_{1/2} dimers and C_8 coefficients for the Yb-Yb 1S_0+1S_0, 1S_0+3P_1 and Yb-Rb 1S_0+5s dimers. We evaluate uncertainties of all properties.

DOI
10.48550/arxiv.1307.2654

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We present methods for accurate evaluation of van der Waals coefficients of dimers with excited atoms that have a strong decay channel. We calculate C_6 coefficients for the Yb-Yb 1S_0+ 3P_{0,1}, 3P_0+3P_0 and Yb-Rb 3P_1+5s, 1S_0+ 5p_{1/2} dimers and C_8 coefficients for the Yb-Yb 1S_0+1S_0, 1S_0+3P_1 and Yb-Rb 1S_0+5s dimers. We evaluate uncertainties of all properties.
We evaluate the electric-dipole and electric-quadrupole static and dynamic polarizabilities for the 6s21S06{s}^{2\phantom{\rule{0.16em}{0ex}}1}{S}_{0}6s21S0​, 6s6p3P0o6s6p{\phantom{\rule{0.16em}{0ex}}}^{3}{P}_{0}^{o}6s6p3P0o​, and 6s6p3P1o6s6p{\phantom{\rule{0.16em}{0ex}}}^{3}{P}_{1}^{o}6s6p3P1o​ states and estimate their uncertainties. A first-principles relativistic method is developed for an accurate calculation of the van der Waals coefficients of dimers involving excited-state atoms with strong decay channel to the ground state. This method is used for evaluation of the long-range interaction coefficients of particular experimental interest, including the C6{C}_{6}C6​ coefficients for the Yb-Yb 1S0+3P0,1o{}^{1}{S}_{0}+{\phantom{\rule{0.16em}{0ex}}}^{3}{P}_{0,1}^{o}1S0​+3P0,1o​ and 3P0o+3P0o{}^{3}{P}_{0}^{o}+{\phantom{\rule{0.16em}{0ex}}}^{3}{P}_{0}^{o}3P0o​+3P0o​ dimers and C8{C}_{8}C8​ coefficients for the 1S0+1S0{}^{1}{S}_{0}+{\phantom{\rule{0.16em}{0ex}}}^{1}{S}_{0}1S0​+1S0​ and 1S0+3P1o{}^{1}{S}_{0}+{\phantom{\rule{0.16em}{0ex}}}^{3}{P}_{1}^{o}1S0​+3P1o​ dimers.
We derive the relativistic formulas for the van der Waals coefficients of Yb--alkali-metal dimers that correlate to ground and excited separated-atom limits. We calculate C6{C}_{6}C6​ and C8{C}_{8}C8​ coefficients of particular experimental interest. We also derive a semiempirical formula that expresses the C8{C}_{8}C8​ coefficient of heteronuclear A+BA+BA+B dimers in terms of the C6{C}_{6}C6​ and C8{C}_{8}C8​ coefficients of homonuclear dimers and the static dipole and quadrupole polarizabilities of the atomic states AAA and BBB. We report results of calculation of the C6{C}_{6}C6​ coefficients for the Yb-Rb 3P1o+5s2S1/2{}^{3}{P}_{1}^{o}+5s{\phantom{\rule{0.16em}{0ex}}}^{2}{S}_{1/2}3P1o​+5s2S1/2​ and 1S0+5p2P1/2o{}^{1}{S}_{0}+5p{\phantom{\rule{0.16em}{0ex}}}^{2}{P}_{1/2}^{o}1S0​+5p2P1/2o​ dimers, and the C8{C}_{8}C8​ coefficients for the Yb-Li 1S0+2s2S1/2{}^{1}{S}_{0}+2s{\phantom{\rule{0.16em}{0ex}}}^{2}{S}_{1/2}1S0​+2s2S1/2​ and Yb-Rb 1S0+5s2S1/2{}^{1}{S}_{0}+5s{\phantom{\rule{0.16em}{0ex}}}^{2}{S}_{1/2}1S0​+5s2S1/2​ dimers. Uncertainties are estimated for all predicted properties.
We evaluated the C(6) coefficients of Yb-Yb, Yb-alkali, and Yb-group II van der Waals interactions with 2% uncertainty. The only existing experimental result for such quantities is for the Yb-Yb dimer. Our value, C(6)=1929(39) a.u., is in excellent agreement with the recent experimental determination of 1932(35) a.u. We have also developed a new approach for the calculation of the dynamic correction to the blackbody radiation shift. We have calculated this quantity for the Yb 6s(2) (1)S(0)-6s6p (3)P(0)(o) clock transition with 3.5% uncertainty. This reduces the fractional uncertainty due to the blackbody radiation shift in the Yb optical clock at 300 K to the 10(-18) level.
We consider long-range interactions between two alkali-metal atoms in their respective ground states. We extend the previous relativistic many-body calculations of C6 dispersion coefficients [Phys. Rev. Lett. 82, 3589 (1999)] to higher-multipole coefficients C8 and C10. Special attention is paid to usually omitted contribution of core-excited states. We calculate this contribution within relativistic random-phase approximation and demonstrate that for heavy atoms core excitations contribute as much as 10% to the dispersion coefficients. We tabulate results for both homonuclear and heteronuclear dimers and estimate theoretical uncertainties. The estimated uncertainties for C8 coefficients range from 0.5% for Li2 to 4% for Cs2.
We present semiempirical calculations of long-range van der Waals interactions for two interacting metastable rare-gas atoms Ne through Xe. Dispersion coefficients C6{C}_{6}C6​ are obtained for homonuclear molecular potentials asymptotically connecting to the ns(3/2)2+ns(3/2)2{\mathrm{ns}(3/2)}_{2}{+ns(3/2)}_{2}ns(3/2)2​+ns(3/2)2​ atomic states. The estimated uncertainty of the calculated C6{C}_{6}C6​ dispersion coefficients is 4%.
The long-range part of the interatomic interactions plays a substantial role in the collisional dynamics of ultracold gases. Here, we report on the calculation of the isotropic and anisotropic C6{C}_{6}C6​ coefficients characterizing the van der Waals interaction between dysprosium or erbium atoms in the two lowest energy levels and the ground-state alkali-metal (Li, Na, K, Rb, Cs, Fr) or alkaline-earth-metal (Be, Mg, Ca, Sr, Ba) atoms. The calculations are done using the integral of dynamic dipole polarizabilities at so-called imaginary frequencies of the two interacting atoms. For all atom pairs, we find that the isotropic C6{C}_{6}C6​ coefficients are two or three orders of magnitude larger than the anisotropic ones. Those coefficients are essential for modeling collisional properties of heteronuclear quantum mixtures containing highly magnetic dysprosium or erbium atoms and alkali-metal or alkaline-earth-metal atoms.