Static hyperpolarizability of atomic lithium

Kassimi, N. El-Bakali; Thakkar, Ajit J.

doi:10.1103/physreva.50.2948

Cited by 33 publications

(11 citation statements)

References 32 publications

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“…Our measurement is in excellent agreement with the most accurate experimental value obtained by Bederson and coworkers [2] in 1974 and we have reduced the uncertainty by a factor three. Our result is also in excellent agreement with the best theoretical estimates of this quantity due to Kassimi and Thakkar [33] and to Yan et al [34]. The neglected corrections (relativistic effect, finite nuclear mass effect) should be at least ten times smaller than our present error bar.…”

Section: Discussionsupporting

confidence: 92%

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Atom interferometry measurement of the electric polarizability of lithium

Miffre

Jacquey²,

Büchner³

et al. 2006

Eur. Phys. J. D

123

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Using an atom interferometer, we have measured the static electric polarizability of 7 Li α = (24.33 ± 0.16) × 10 −30 m 3 = 164.19 ± 1.08 atomic units with a 0.66% uncertainty. Our experiment, which is similar to an experiment done on sodium in 1995 by D. Pritchard and co-workers, consists in applying an electric field on one of the two interfering beams and measuring the resulting phaseshift. With respect to D. Pritchard's experiment, we have made several improvements which are described in detail in this paper: the capacitor design is such that the electric field can be calculated analytically; the phase sensitivity of our interferometer is substantially better, near 16 mrad/ √ Hz; finally our interferometer is species selective so that impurities present in our atomic beam (other alkali atoms or lithium dimers) do not perturb our measurement. The extreme sensitivity of atom interferometry is well illustrated by our experiment: our measurement amounts to measuring a slight increase ∆v of the atom velocity v when it enters the electric field region and our present sensitivity is sufficient to detect a variation ∆v/v ≈ 6 × 10 −13 .

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Section: Discussionsupporting

confidence: 92%

“…• in 1994, Kassimi and Thakkar [33] have made a detailed study with two important results. They obtained a fully converged Hartree-Fock value, α = 169.946 a.u.…”

Section: B the Electric Polarizability Of Lithiummentioning

confidence: 99%

Atom interferometry measurement of the electric polarizability of lithium

Miffre

Jacquey²,

Büchner³

et al. 2006

Eur. Phys. J. D

123

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“…The diffuse electron density of the alkali atoms, and the even more diffuse density of the alkali anions, makes calculated polarizabilities very sensitive to the choice of the one-particle basis set; see, for example, work on the polarizabilities of neutral lithium, 21,22 sodium, 23 the heavier alkali atoms 24,25 from K to element 119, and the lithium anion. The diffuse electron density of the alkali atoms, and the even more diffuse density of the alkali anions, makes calculated polarizabilities very sensitive to the choice of the one-particle basis set; see, for example, work on the polarizabilities of neutral lithium, 21,22 sodium, 23 the heavier alkali atoms 24,25 from K to element 119, and the lithium anion.…”

Section: Introductionmentioning

confidence: 99%

Polarizabilities of the alkali anions: Li− to Fr−

Lupinetti

Thakkar

2006

The Journal of Chemical Physics

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Static dipole polarizabilities are calculated for the ground states of the alkali anions from Li- to Fr-. The polarizabilities include scalar relativistic effects at the second-order Douglas-Kroll level and were computed using the finite-field, coupled-cluster CCSD(T) method with large, carefully optimized basis sets. The relativistic polarizabilities increase with Z, reach a maximum at Cs-, and then decrease again unlike their nonrelativistic counterparts which increase monotonically with Z.

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“…Here we see extremely large relativistic effects due to the indirect coupling between the 4d and the relativistically contracted 5s orbitals (note that from the sum-over-states formula for the hyperpo-larizabilities [68] we couple states of angular momentum l with states ranging from l−2 to l+2 with l ≥ 0). Electron correlation effects are therefore extremely large, which is well known for hyperpolarizabilities in general [23]. For Pd, the triple, quadruple and quintuple contributions are so large that an accurate prediction of the hyperpolarizability cannot be made at this stage.…”

Section: Resultsmentioning

confidence: 99%

“…The present calculations were undertaken in an attempt to establish an accurate value for the dipole polarizability of the closed-shell palladium atom using relativistic coupled cluster theory. We also NR-HF, scaled [36] provide a value of the fourth-order term with respect to the applied electric field, the (second) hyperpolarizability γ, although higher order derivatives with respect to the electric field are known to be more problematic from a computational point of view [23].…”

Section: Introductionmentioning

confidence: 99%

Static dipole polarizability of palladium from relativistic coupled-cluster theory

2018

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Nonrelativistic and relativistic coupled-cluster calculations extrapolated to the complete basis set limit including excitations up to the quintuple level (CCSDTQP) were carried out to accurately determine the static electric dipole polarizability of the closed-shell palladium atom. The resulting value of α = 26.14(10) a.u. implies that palladium has the smallest dipole polarizability of all known elemental metal atoms due to its unique 4d 10 5s 0 configuration. Relativistic effects are found to be already sizeable (∆Rα= +1.86 a.u.) compared to electron correlation (∆C α= +5.06 a.u.), and need to be included for the accurate determination of the dipole polarizability. We also report a value of the second hyperpolarizability to be γ ≈ 40,000 a.u., but here the coupled-cluster contributions are not yet converged out with respect to higher than quintuple excitations.

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Static hyperpolarizability of atomic lithium

Cited by 33 publications

References 32 publications

Atom interferometry measurement of the electric polarizability of lithium

Atom interferometry measurement of the electric polarizability of lithium

Polarizabilities of the alkali anions: Li− to Fr−

Static dipole polarizability of palladium from relativistic coupled-cluster theory

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