A revised study of the <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si1.gif" overflow="scroll"><mml:mrow><mml:msubsup><mml:mrow><mml:mi mathvariant="normal">Li</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow><mml:mrow><mml:mo>+</mml:mo></mml:mrow></mml:msubsup></mml:mrow></mml:math> alkali-dimer using a model potential approach

Rabli, Djamal; McCarroll, R.

doi:10.1016/j.chemphys.2017.02.005

Cited by 9 publications

(7 citation statements)

References 26 publications

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“…The resulting scattering lengths a g and a u of the X 2 + g and A 2 + u states, respectively, are both computed to be positive with a g a u . Our results are consistent with previous studies on the X 2 + g and A 2 + u PECs [27,[29][30][31][32][33][34][35]. A convergence criterion is developed to bound the range of uncertainty within which the values of the scattering lengths, a g and a u , are constrained.…”

Section: Introductionsupporting

confidence: 88%

Interaction potentials and ultracold scattering cross sections for the Li+7–Li7 ion-atom system

Pandey

Niranjan²,

Joshi³

et al. 2020

Phys. Rev. A

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We calculate the isotope-independent Li + -Li potential energy curves for the electronic ground and first excited states. The scattering phase shifts and total scattering cross section for the 7 Li + -7 Li collision are calculated, with an emphasis on the ultralow-energy domain down to the s-wave regime. The effect of physically motivated alterations on the calculated potential energy curves is used to determine the bound of accuracy of the low-energy scattering parameters for the ion-atom system. It is found that the scattering length for the A 2 + u state, a u = 1325a 0 , is positive and has well-constrained bounds. For the X 2 + g state, the scattering length, a g = 20 465a 0 , has a large magnitude, as it is sensitive to the restrained change of the potential, due to the presence of a vibrational state in the vicinity of the dissociation limit.

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Section: Introductionsupporting

confidence: 88%

Interaction potentials and ultracold scattering cross sections for the Li+7–Li7 ion-atom system

Pandey

Niranjan²,

Joshi³

et al. 2020

Phys. Rev. A

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“…Our result, Eq. (42), might enable similar calculations for Li-Li + , especially given recent advances in calculations of the Li + 2 potential curve [44,49]. We now leave aside the particular case of the Li(2 2 S)-Li + (1 1 S) interactions, and complete the discussion on the evaluation of the three-body terms.…”

Section: A the Additive Dispersion Interaction Coefficientsmentioning

confidence: 99%

Long-range interaction of Li(2S2)−Li(2S

et al. 2020

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The long-range interactions among two-or three-atom systems are of considerable importance in the cold and ultracold research areas for many body systems. For an ion and an atom, the longrange interaction potential is dominated by the induction (or polarization) potential resulting from the (classical) effect of the ion's electric field on the atom and the leading term of the induction potential is much stronger than the (quantum mechanical) dispersion (or van der Waals) interaction. The present paper focuses on the long-range interaction of the Li(2 2 S)-Li(2 2 S)-Li + (1 1 S) system, to see what changes this induction effect (originating in the electric field of the Li + ion) yields in the long-range additive and nonadditive interactions of this three-body system. Using perturbation theory for energies, we evaluate the coefficients C n in the potential energy for the three well-separated constituents, where n refers to the corresponding order in inverse powers of distance, obtaining the additive interaction coefficients C 4 , C 6 , C 7 , C 8 , C 9 and the nonadditive interaction coefficients C 7 , C 9 . The obtained coefficients C n are calculated with highly accurate variationally-generated nonrelativistic wave functions in Hylleraas coordinates. Our calculations may be of interest for the study of three-body recombination and for constructing precise potential energy surfaces. We also provide precise evaluations of the long-range potentials for the two-body Li(2 2 S)-Li + (1 1 S) system. For both the two-body and three-body cases, we provide results for the like-nuclei cases of 6 Li and 7 Li.

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“…( 8)- (10), it is evident that the exchange energies are positive for the 2 2 Σ + u and 1 2 Π g states and negative for the 2 2 Σ + g and 1 2 Π u states, while the exchange splitting for the pair of 2 2 Σ + states is larger by a factor of R/2 compared to the pair of 1 2 Π states, where R is the internuclear distance. Calculations show that the two Σ states and the 1 2 Π u state form potential wells, while the 1 2 Π g state is purely repulsive [51]. It is evident from the data in Eq.…”

Section: F Orientation-dependence Considerationsmentioning

confidence: 87%

“…( 48) that the net positive long-range potential and positive exchange energy completely account for the repulsive 1 2 Π g state. Of the three states with potential wells, that of the 2 2 Σ + u state exists at the greatest internuclear distance, about 25 a 0 , with a depth of only 127 cm −1 according to a recent model potential calculation [51]. With our long-range expansion of Table II evaluated for ∞ Li as in Eq.…”

Section: F Orientation-dependence Considerationsmentioning

confidence: 89%

Long-range additive and nonadditive potentials in a hybrid system: Ground state atom, excited state atom, and ion

Yan,

Tang,

Yan

et al. 2021

Preprint

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We report a theoretical study on the long-range additive and nonadditive potentials for a three-body hybrid atom-atom-ion system composed of one ground S state Li atom, one excited P state Li atom and one ground S state Li + ion, Li(2 2 S)-Li(2 2 P )-Li + (1 1 S). The interaction coefficients are evaluated with highly accurate wave functions calculated variationally in Hylleraas coordinates. For this hybrid system the three-body nonadditive collective interactions (appearing in second-order) induced by the energy degeneracy and enhanced by the induction effect of the Li + ion through the internal electric field can be strong and even stronger than the twobody additive interactions at the same order. We find that for particular geometries the two-body additive interactions of the system sum to zero leaving only three-body nonadditive collective interactions making the present system potentially a platform to explore quantum three-body collective effects. We also extract first-principles leading coefficients of the long-range electrostatic, induction, and dispersion energies of Li + 2 electronic states correlating to Li + (1 1 S)-Li(2 2 P ), which until now were not available in the literature. The results should be especially valuable for the exploration of schemes to create trimers with ultracold atoms and ions in optical lattices.

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A revised study of the Li2+ alkali-dimer using a model potential approach

Cited by 9 publications

References 26 publications

Interaction potentials and ultracold scattering cross sections for the Li+7–Li7 ion-atom system

Interaction potentials and ultracold scattering cross sections for the Li+7–Li7 ion-atom system

Long-range interaction of Li(2S2)−Li(2S

Long-range additive and nonadditive potentials in a hybrid system: Ground state atom, excited state atom, and ion

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