Molecular Physics

Long-range interactions of ytterbium atoms

Peng Zhang, A. Dalgarno

Published Jun 20, 2008• 12 citations

Abstract

The long-range interactions of two ground state ytterbium atoms and of an ytterbium atom and a perfectly conducting wall are calculated, including the effects of retardation. The static and dynamic polarizabilities are determined using time-independent linear response coupled cluster theory.

DOI: 10.1080/00268970802126608

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Molecular Physics

Long-range interactions of ytterbium atoms

Peng Zhang, A. Dalgarno

Published Jun 20, 2008• 12 citations

Publisher

Abstract

DOI: 10.1080/00268970802126608

Related papers

Long-range interactions of metastable helium atoms

Zong-Chao Yan, J. F. Babb

The electric dipole, quadrupole, and octupole polarizabilities of a helium atom and the associated dispersion coefficients for the interaction of two helium atoms are calculated for the atomic $n=2$ singlet and triplet states, respectively, $\mathrm{He}(2{}^{1}S)$ and $\mathrm{He}(2{}^{3}S)$ . The calculations utilize highly accurate, variationally determined, wave functions composed of doubled basis sets. The effects of retardation due to the finite speed of light are calculated for the dispersion potentials of two $\mathrm{He}(2{}^{1}S)$ or two $\mathrm{He}(2{}^{3}S)$ atoms and for the atom-surface interaction potentials of a $\mathrm{He}(2{}^{1}S)$ or a $\mathrm{He}(2{}^{3}S)$ atom with a perfectly conducting or a dielectric wall.The electric dipole, quadrupole, and octupole polarizabilities of a helium atom and the associated dispersion coefficients for the interaction of two helium atoms are calculated for the atomic $n=2$ singlet and triplet states, respectively, $\mathrm{He}(2{}^{1}S)$ and $\mathrm{He}(2{}^{3}S)$. The calculations utilize highly accurate, variationally determined, wave functions composed of doubled basis sets. The effects of retardation due to the finite speed of light are calculated for the dispersion potentials of two $\mathrm{He}(2{}^{1}S)$ or two $\mathrm{He}(2{}^{3}S)$ atoms and for the atom-surface interaction potentials of a $\mathrm{He}(2{}^{1}S)$ or a $\mathrm{He}(2{}^{3}S)$ atom with a perfectly conducting or a dielectric wall.

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S. G. Porsev, Marianna S. Safronova, Andrei Derevianko +1 more

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Retardation long-range potentials between two helium atoms

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V. A. Dzuba, Andrei Derevianko

We carry out relativistic many-body calculations of the static and dynamic dipole polarizabilities of the ground 6s 2 1 S 0 and the first excited 6s6p 3 P o 0 states of Yb. With these polarizabilities, we compute several properties of Yb relevant to optical lattice clocks operating on the 6s 2 1 S 0 –6s6p 3 P o 0 transition. We determine (i) the first four magic wavelengths of the laser field for which the frequency of the clock transition is insensitive to the laser intensity. While the first magic wavelength is known, we predict the second, the third and the fourth magic wavelengths to be 551 nm, 465 nm and 413 nm. (ii) We re-evaluate the effect of black-body radiation on the frequency of the clock transition, the resulting clock shift at T = 300 K being −1.41(17) Hz. (iii) We compute long-range interatomic van der Waals coefficients (in a.u.) C 6 (6s 2 1 S 0 + 6s 2 1 S 0 ) = 1909(160), C 6 (6s 2 1 S 0 + 6s6p 3 P 0 ) = 2709(338) and C 6 (6s6p 3 P 0 + 6s6p 3 P 0 ) = 3886(360). Finally, we determine the atom-wall interaction coefficients (in a.u.), C 3 (6s 2 1 S 0 ) = 3.34 and C 3 (6s6p 3 P 0 ) = 3.68. We also address and resolve a disagreement between previous calculations of the static polarizability of the ground state.We carry out relativistic many-body calculations of the static and dynamic dipole polarizabilities of the ground 6s 2 1 S 0 and the first excited 6s6p 3 P o 0 states of Yb. With these polarizabilities, we compute several properties of Yb relevant to optical lattice clocks operating on the 6s 2 1 S 0 –6s6p 3 P o 0 transition. We determine (i) the first four magic wavelengths of the laser field for which the frequency of the clock transition is insensitive to the laser intensity. While the first magic wavelength is known, we predict the second, the third and the fourth magic wavelengths to be 551 nm, 465 nm and 413 nm. (ii) We re-evaluate the effect of black-body radiation on the frequency of the clock transition, the resulting clock shift at T = 300 K being −1.41(17) Hz. (iii) We compute long-range interatomic van der Waals coefficients (in a.u.) C 6 (6s 2 1 S 0 + 6s 2 1 S 0 ) = 1909(160), C 6 (6s 2 1 S 0 + 6s6p 3 P 0 ) = 2709(338) and C 6 (6s6p 3 P 0 + 6s6p 3 P 0 ) = 3886(360). Finally, we determine the atom-wall interaction coefficients (in a.u.), C 3 (6s 2 1 S 0 ) = 3.34 and C 3 (6s6p 3 P 0 ) = 3.68. We also address and resolve a disagreement between previous calculations of the static polarizability of the ground state.

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Dipole polarizabilities of excited alkali-metal atoms and long-range interactions of ground- and excited-state alkali-metal atoms with helium atoms

Cheng Zhu, A. Dalgarno, S. G. Porsev +1 more

The scalar and tensor dynamic polarizabilities of the first excited $^{2}P_{1∕2,3∕2}$ states of the alkali-metal atoms $\mathrm{Na}$ , $\mathrm{K}$ , and $\mathrm{Rb}$ are calculated using relativistic many-body perturbation theory. Comparison with experimental measurements of the static polarizabilities suggests that the errors in the theoretical predictions do not exceed 1%. The dynamic polarizabilities at imaginary frequencies are employed to calculate the long-range van der Waals coefficients for the interaction of ground-state helium atoms with the excited alkali-metal atoms to a probable error of less than 2%.The scalar and tensor dynamic polarizabilities of the first excited $^{2}P_{1∕2,3∕2}$ states of the alkali-metal atoms $\mathrm{Na}$, $\mathrm{K}$, and $\mathrm{Rb}$ are calculated using relativistic many-body perturbation theory. Comparison with experimental measurements of the static polarizabilities suggests that the errors in the theoretical predictions do not exceed 1%. The dynamic polarizabilities at imaginary frequencies are employed to calculate the long-range van der Waals coefficients for the interaction of ground-state helium atoms with the excited alkali-metal atoms to a probable error of less than 2%.

Physical Review ASep 30, 200441 citations

The electric dipole, quadrupole, and octupole polarizabilities of a helium atom and the associated dispersion coefficients for the interaction of two helium atoms are calculated for the atomic

n=2

singlet and triplet states, respectively,

\mathrm{He}(2{}^{1}S)

and

\mathrm{He}(2{}^{3}S)

. The calculations utilize highly accurate, variationally determined, wave functions composed of doubled basis sets. The effects of retardation due to the finite speed of light are calculated for the dispersion potentials of two

\mathrm{He}(2{}^{1}S)

or two

\mathrm{He}(2{}^{3}S)

atoms and for the atom-surface interaction potentials of a

\mathrm{He}(2{}^{1}S)

or a

\mathrm{He}(2{}^{3}S)

atom with a perfectly conducting or a dielectric wall.

We evaluate the electric-dipole and electric-quadrupole static and dynamic polarizabilities for the

6{s}^{2\phantom{\rule{0.16em}{0ex}}1}{S}_{0}

6s6p{\phantom{\rule{0.16em}{0ex}}}^{3}{P}_{0}^{o}

, and

6s6p{\phantom{\rule{0.16em}{0ex}}}^{3}{P}_{1}^{o}

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

{C}_{6}

coefficients for the Yb-Yb

{}^{1}{S}_{0}+{\phantom{\rule{0.16em}{0ex}}}^{3}{P}_{0,1}^{o}

and

{}^{3}{P}_{0}^{o}+{\phantom{\rule{0.16em}{0ex}}}^{3}{P}_{0}^{o}

dimers and

{C}_{8}

coefficients for the

{}^{1}{S}_{0}+{\phantom{\rule{0.16em}{0ex}}}^{1}{S}_{0}

and

{}^{1}{S}_{0}+{\phantom{\rule{0.16em}{0ex}}}^{3}{P}_{1}^{o}

dimers.

The retardation long-range potentials between two 1

{\mathrm{}}^{1}

S (or 2

{\mathrm{}}^{3}

S) helium atoms are calculated. The complex dynamic multipole polarizabilities of 1

{\mathrm{}}^{1}

S and 2

{\mathrm{}}^{3}

S states of helium are obtained through a variation-perturbation approach with B-spline and Slater-type basis functions in a configuration-interaction scheme. They are used to calculate the retardation long-range potentials. The retardation coefficients are examined. Their relative magnitudes are different for different systems. The possibility of an excited state of helium dimer from the 1

{\mathrm{}}^{1}

S--2

{\mathrm{}}^{3}

{\mathrm{He}}_{2}

state is estimated. \textcopyright{} 1996 The American Physical Society.

The scalar and tensor dynamic polarizabilities of the first excited

^{2}P_{1∕2,3∕2}

states of the alkali-metal atoms

\mathrm{Na}

\mathrm{K}

, and

\mathrm{Rb}

are calculated using relativistic many-body perturbation theory. Comparison with experimental measurements of the static polarizabilities suggests that the errors in the theoretical predictions do not exceed 1%. The dynamic polarizabilities at imaginary frequencies are employed to calculate the long-range van der Waals coefficients for the interaction of ground-state helium atoms with the excited alkali-metal atoms to a probable error of less than 2%.