Photoassociation of a cold-atom-molecule pair. II. Second-order perturbation approach

Lepers, Maxence; Véxiau, Romain; Bouloufa, Nadia; Dulieu, Olivier; Kokoouline, Viatcheslav

doi:10.1103/physreva.83.042707

Cited by 18 publications

(28 citation statements)

References 31 publications

(29 reference statements)

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“…2(b), where the influence of the spin-orbit interaction of O( 3 P 2 ) on the anisotropy of the PES is clearly visible. The calculations presented in this section are based on our previous work on Cs(6p 2 P )- [25,[43][44][45] The quantities regarding the oxygen atom are expressed here in the fine-structure basis |J a M a and are identical to those of Section II. To stress the differences with the fixedgeometry problem for the diatom, all the quantities X that are averaged over O 2 vibrational wave functions are overlined (X).…”

Section: B Asymptotic Pess: Results and Discussionmentioning

confidence: 99%

Long-range interactions in the ozone molecule: Spectroscopic and dynamical points of view

Lepers

Bussery‐Honvault

Dulieu

2012

The Journal of Chemical Physics

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Using the multipolar expansion of the electrostatic energy, we have characterized the asymptotic interactions between an oxygen atom O( 3 P ) and an oxygen molecule O 2 ( 3 Σ − g ), both in their electronic ground state. We have calculated the interaction energy induced by the permanent electric quadrupoles of O and O 2 and the van der Waals energy. On one hand we determined the 27 electronic potential energy surfaces including spin-orbit connected to the O(On the other hand we computed the potential energy curves characterizing the interaction between O( 3 P ) and a O 2 ( 3 Σ − g ) molecule in its lowest vibrational level and in a low rotational level. Such curves are found adiabatic to a good approximation, namely they are only weakly coupled to each other. These results represent a first step for modeling the spectroscopy of ozone bound levels close to the dissociation limit, as well as the low energy collisions between O and O 2 thus complementing the knowledge relevant for the ozone formation

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Section: B Asymptotic Pess: Results and Discussionmentioning

confidence: 99%

Long-range interactions in the ozone molecule: Spectroscopic and dynamical points of view

Lepers

Bussery‐Honvault

Dulieu

2012

The Journal of Chemical Physics

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“…Our work extends the results in Refs. [20][21][22] to fine structure states with high n, as relevant for Rydberg states.…”

Section: Methodsmentioning

confidence: 99%

C6 coefficients for interacting Rydberg atoms and alkali-metal dimers

2020

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We study the van der Waals interaction between Rydberg alkali-metal atoms with fine structure (n 2 Lj; L ≤ 2) and heteronuclear alkali-metal dimers in the ground rovibrational state (X 1 Σ + ; v = 0, J = 0). We compute the associated C6 dispersion coefficients of atom-molecule pairs involving 133 Cs and 85 Rb atoms interacting with KRb, LiCs, LiRb, and RbCs molecules. The obtained dispersion coefficients can be accurately fitted to a state-dependent polynomial O(n 7 ) over the range of principal quantum numbers 40 ≤ n ≤ 150. For all atom-molecule pairs considered, Rydberg states n 2 Sj and n 2 Pj result in attractive 1/R 6 potentials. In contrast, n 2 Dj states can give rise to repulsive potentials for specific atom-molecule pairs. The interaction energy at the LeRoy distance approximately scales as n −5 for n > 40. For intermediate values of n 40, both repulsive and attractive interaction energies in the order of 10 − 100 µK can be achieved with specific atomic and molecular species. The accuracy of the reported C6 coefficients is limited by the quality of the atomic quantum defects, with relative errors ∆C6/C6 estimated to be no greater than 1% on average.

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“…, one retrieves the product of the multipole polarizabilities at imaginary frequencies. The term −2a/(b 2 − a 2 ) = 2a/(a 2 − b 2 ) results in the dynamic polarizability of partner A, taken at the real frequencies corresponding to the transitions from |β B J B to lower-energy levels of partner B [42,43]. Finally the dispersion effective operator readŝ…”

Section: Dispersion Energymentioning

confidence: 99%

CHAPTER 4. Long-range Interactions Between Ultracold Atoms and Molecules

Lepers¹,

Dulieu²

2017

Theoretical and Computational Chemistry Series

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The term long-range interactions refers to electrostatic and magnetostatic potential energies between atoms and molecules with mutual distances ranging from a few tens to a few hundreds Bohr radii. The involved energies are much smaller than the usual chemical bond energies. However, they are comparable with the typical kinetic energies of particles in an ultracold gas (T ≪ 1K), so that the long-range interactions play a central role in its dynamics. The progress of research devoted to ultracold gases shed a new light on the well-established topic of long-range interactions, because: (i) the interacting atoms and molecules can be prepared in a well-defined quantum (electronic, vibrational, rotational, fine or hyper-fine), ground or excited level; and (ii) long-range interactions can be tailored at will using external electromagnetic fields.In this chapter, we present the essential concepts and mathematical relations to calculate long-range potential energies. We start with deriving the multipolar expansion of the electrostatic interaction energy between classical charge distributions, both in Cartesian coordinates for pedagogical purpose, and in spherical coordinates for practical use. Then we combine multipolar expansion and quantum perturbation theory, to obtain the general first-and second-order energy corrections, including the well-known van der Waals energy. We consider two central examples in the current context of ultracold gases: (i) a pair of alkali-metal atoms and (ii) a pair of alkali-metal heteronuclear diatomic molecules submitted to an electric field. We highlight the key role of the total angular momenta of the interacting particles and of the complex, irrespective of their electronic or nuclear, orbital or spin nature.A m ′ C

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Photoassociation of a cold-atom-molecule pair. II. Second-order perturbation approach

Cited by 18 publications

References 31 publications

Long-range interactions in the ozone molecule: Spectroscopic and dynamical points of view

Long-range interactions in the ozone molecule: Spectroscopic and dynamical points of view

C6 coefficients for interacting Rydberg atoms and alkali-metal dimers

CHAPTER 4. Long-range Interactions Between Ultracold Atoms and Molecules

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