Theoretical electronic structure of RbCs revisited

Allouche, Abdul‐Rahman; Korek, Mahmoud; Fakherddin, K.; Chaalan, Ahmad; Dagher, Mounzer; Taher, F.; Aubert‐Frécon, M.

doi:10.1088/0953-4075/33/12/312

Cited by 110 publications

(104 citation statements)

References 20 publications

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“…We have analyzed our observations of the Ω = 0 ± levels by fitting them to a model of the RbCs * potentials, based on ab initio calculations [31] and previous spectroscopic data [27,32]. A thorough discussion of this analysis will be presented elsewhere.…”

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confidence: 99%

Production of Ultracold, PolarRbCs*Molecules via Photoassociation

et al. 2004

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We have produced ultracold, polar RbCs * molecules via photoassociation in a laser-cooled mixture of Rb and Cs atoms. Using a model of the RbCs * molecular interaction which reproduces the observed rovibrational structure, we infer decay rates in our experiments into deeply bound X 1 Σ + ground state RbCs vibrational levels as high as 5×10 5 s −1 per level. Population in such deeply bound levels could be efficiently transferred to the vibrational ground state using a single stimulated Raman transition, opening the possibility to create large samples of stable, ultracold polar molecules.PACS numbers: 32.80. Pj, 33.80.Ps, 34.50.Gb, 34.50.Rk Ultracold polar molecules, due to their strong, longrange, anisotropic dipole-dipole interactions, may provide access to qualitatively new regimes previously inaccessible to ultracold atomic and molecular systems. For example, they might be used as the qubits of a scalable quantum computer [1]. New types of highly-correlated many-body quantum states could become accessible such as BCS-like superfluids [2], supersolid and checkerboard states [3], or "electronic" liquid crystal phases [4]. Ultracold chemical reactions between polar molecules have been discussed [5], and might be controlled using electric fields [6]. Finally, the sensitivity of current moleculebased searches for violations of fundamental symmetries [7] might be increased to unprecedented levels.Cold, trapped polar molecules have so far only been produced using either buffer-gas cooling [8] or Starkslowing [9], at temperatures of ∼10-100 mK [8,9]. This is much higher than the ∼1-100 µK accessible with atoms, and attempts to bridge this gap with evaporative cooling may run afoul of predicted molecular Feshbach resonances [10] or inelastic losses [11].Another approach is to extend well-known techniques for producing ultracold (non-polar) homonuclear diatomic molecules in binary collisions of ultracold atoms, either through photoassociation [12,13,14,15,16], or Feshbach resonance [17,18]. In these methods, the translational and rotational temperatures of the molecules are limited only by the initial atomic sample, possibly providing access all the way to the quantum-degenerate regime [15,18]. An important limitation, however, is that the molecules are typically formed in weakly bound vibrational levels near dissociation, which may have vanishing electric dipole moments [19], and are unstable with respect to inelastic collisions [10,11,15]; therefore, a method for transferring them to the vibrational ground state is desirable [14].Several authors have discussed the extension of these methods to the formation of (heteronuclear) polar molecules in collisions between different atomic species [20,21,22,23]. In recent experiments NaCs + and RbCs + ions formed in the presence of near-resonant light have indeed been observed in small numbers [21]; however, these observations did not permit an analysis of their formation mechanism, nor demonstrate a method for producing neutral, ultracold polar molecules.In this Letter, we ...

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Production of Ultracold, PolarRbCs*Molecules via Photoassociation

et al. 2004

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“…The parameters defining the core-polarization potentials and the comparison of the calculated IPs and atomic transition energies with the experimental values of the atom Rb are given in Ref. [18], whereas the Gaussian basis set used is (7s 4p 5d 1f/6s 4p 4d 1f) [19]. For the hydrogen atom the basis set is a modified cc-pv6z.…”

Section: Ab Initio Calculationmentioning

confidence: 99%

Theoretical calculation of the low laying electronic states of the molecular ion RbH⁺

Korek

Hammoud

Harb

2009

Int J of Quantum Chemistry

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ABSTRACT:Using an ab initio method, the potential energy has been calculated for the 29 lowest molecular states of symmetries 2 ⌺ ϩ , 2 ⌸, 2 ⌬ for the molecular ion RbH ϩ . The calculation is based on nonempirical pseudopotentials and parameterized ᐉ-dependent polarization potentials. Gaussian basis sets have been used for both atoms. The spectroscopic constants for 18 electronic sates have been calculated by fitting the calculated energy values to a polynomial in terms of the internuclear distance R. Through the canonical functions approach the eigenvalue E v , the abscissas of the corresponding turning points (R min and R max ) and the rotational constants B v have been calculated up to 24 vibrational levels for the considered bound states. The comparison of the present results with those available in literature shows a very good agreement.

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“…Nonempirical one-electron pseudopotential is used for K and Rb atoms. Core valence effects (relativistic) have been taken into account through ᐉ-dependent core polarization potentials parameterized for each atom [2,8,10,11]. Gaussian basis sets have been used for the atoms K and Rb [7].…”

Section: Summary Of the Theorymentioning

confidence: 99%

“…In the conventional Rayleigh-Schrö dinger perturbation theory, the vibration-rotation wave function ⌿ vJ and the eigenvalues E vJ are expanded, respectively, as (2) where v and J are, respectively, the vibrational and rotational quantum numbers, ϭ J(Jϩ1), e o ϭ E v is the pure vibrational energy, e 1 ϭ B v is the rotational quantum number, e n (n Ͼ 1) are the centrifugal distortion constants (e 2 ϭ ϪD v , e 3 ϭ H v , . .…”

Section: Summary Of the Theorymentioning

confidence: 99%

“…T he spectacular development in high-resolution techniques, in ultra-cold alkali atom trapping and its recent use in the domain of quantum computer [1], stimulated theoretical study of the alkali dimers, which are necessary to provide predictions accurate enough to be useful for interpretation and evenly for guidance of experiments [2][3][4][5][6]. Recently [7] we investigated the potential energy curves of the molecular ion KRb ϩ for 36 lowest molecular states of symmetry ⍀ ϩ .…”

Section: Introductionmentioning

confidence: 99%

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Electronic transition moment with spin‐orbit coupling of the molecular ion KRb⁺

Korek

Younes

2004

Int J of Quantum Chemistry

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By using the electronic wave functions obtained from an ab initio calculation, including the spin-orbit coupling, the electronic transition moments have been investigated for two bound states of symmetry ⍀ ϭ 1/2 and ⍀ ϭ 3/2 of the molecular ion KRb ϩ . Based on a canonical functions approach for the determination of the vibrational wave functions, the matrix elements have been calculated for the bound states considered for v ϭ 0, 10, 20 with vЈ-v ϭ 0, 1, 2, . . . ,6; by using the same canonical approach, the eigenvalues and abscissas of the corresponding turning points (r min and r max ) have been investigated for these states that obtained from a theoretical ab initio calculation up to v ϭ 105.

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Theoretical electronic structure of RbCs revisited

Cited by 110 publications

References 20 publications

Production of Ultracold, PolarRbCs*Molecules via Photoassociation

Production of Ultracold, PolarRbCs*Molecules via Photoassociation

Theoretical calculation of the low laying electronic states of the molecular ion RbH⁺

Electronic transition moment with spin‐orbit coupling of the molecular ion KRb⁺

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Theoretical electronic structure of RbCs revisited

Cited by 110 publications

References 20 publications

Production of Ultracold, PolarRbCs*Molecules via Photoassociation

Production of Ultracold, PolarRbCs*Molecules via Photoassociation

Theoretical calculation of the low laying electronic states of the molecular ion RbH+

Electronic transition moment with spin‐orbit coupling of the molecular ion KRb+

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Theoretical calculation of the low laying electronic states of the molecular ion RbH⁺

Electronic transition moment with spin‐orbit coupling of the molecular ion KRb⁺