Long-range interactions between ultracold atoms and molecules including atomic spin–orbit

Lepers, Maxence; Dulieu, Olivier

doi:10.1039/c1cp21568j

Cited by 15 publications

(18 citation statements)

References 32 publications

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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%

“…The asymptotic PECs are obtained after diagonalizing the potential energy matrix with elements (where we omitted the label v d = 0 for simplicity) for different values of R, and within the subspace determined by each value of the total angular momentum M = M a +M d on the z axis [25,[43][44][45]47]. For M = 0, the eigenvectors of (28) are also characterized by a given reflection symmetry through any plane containing the z axis.…”

Section: B Asymptotic Potential Energy Curvesmentioning

confidence: 99%

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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%

Section: B Asymptotic Potential Energy Curvesmentioning

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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“…[49]). Other species can also be investigated, as for instance the association of Li atoms and K 2 ground state molecules where the K 2 rotational energy is similar to the Li * spin-orbit splitting, inducing complex patterns in the long-range PECs [35].…”

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confidence: 99%

“…Following our previous work, the long-range excited atom-ground-state molecule interaction is treated within the second-order degenerate perturbation theory [34,35]. In brief, the Hamiltonian of the system is written aŝ H =Ĥ 0 +Ŵ , whereĤ 0 refers to the energy of the individual particles at infinity.…”

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confidence: 99%

Theory of Long-Range Ultracold Atom-Molecule Photoassociation

2015

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The creation of ultracold molecules is currently limited to diatomic species. In this letter we present a theoretical description of the photoassociation of ultracold atoms and molecules to create ultracold excited triatomic molecules, thus being a novel example of light-assisted ultracold chemical reaction. The calculation of the photoassociation rate of ultracold Cs atoms with ultracold Cs2 molecules in their rovibrational ground state is reported, based on the solution of the quantum dynamics involving the atom-molecule long-range interactions, and assuming a model potential for the short-range physics. The rate for the formation of excited Cs3 molecules is predicted to be comparable with currently observed atom-atom photoassociation rates. We formulate an experimental proposal to observe this process relying on the available techniques of optical lattices and standard photoassociation spectroscopy.Ultracold dilute gases at temperatures much lower than 1 mK offer new opportunities for the study of elementary reactive processes between atoms and molecules. As emphasized in seminal review articles [1,2] this socalled ultracold chemistry is freed from averaging on large velocity distributions. Thus in this regime the quantum nature of the processes can be accessed, like the presence of resonances, or the sensitivity to long-range interactions which can induce anisotropic arrangements prior to the reaction. One of the most advanced experiments in this direction is undoubtedly under progress in JILA at Boulder, where quantum threshold collisions induced by tunneling through a centrifugal barrier between fermionic ultracold KRb molecules have been detected [3,4] [9] have been detected through atom trap losses. Three-body recombination in a Rb quantum gas has been characterized [10], and features associated to universal N -body (up to N = 5) resonances induced by collisions between atoms and weaklybound molecules have been observed in quantum degenerate gases [11][12][13][14][15][16].However the deep understanding of the collisional dynamics is still to come as none of these achievements were able to characterize the nature and the state distribution of the final products [17,18]. The heavy mass of alkalimetal species leads to a huge density of resonant states related to the numerous rovibrational levels accessible during an atom/molecule or a molecule/molecule collision, preventing them to be individually characterized. Models connecting the standard treatment of long-range interactions between particles to a statistical description of the resonances mostly resulting from short-range couplings have been developed [18][19][20][21]. The main quantitative uncertainty of such models arises from the estimation of the actual amount of resonant states which are indeed active during the collision.In this letter, we propose to use the well-known photoassociation (PA) process to get more insight into such collisions between ultracold atoms and molecules. PA of an ultracold atom pair is a laser-assisted collision creating an ...

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Long-range interactions between ultracold atoms and molecules including atomic spin–orbit

Cited by 15 publications

References 32 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

Theory of Long-Range Ultracold Atom-Molecule Photoassociation

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