Spectroscopy of mixed alkali dimers by the polarisation labelling technique: Application to NaLi and NaRb molecules

Bang, Nguyen Huy; Grochola, A.; Jastrzębski, W.; Kowalczyk, P.

doi:10.1016/j.optmat.2007.09.015

Cited by 10 publications

(24 citation statements)

References 14 publications

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“…We have conducted extensive research on Dunham coefficients to perform experimental vibrational energy level and their spacing following the expansion for the ground state:

E (v, J) = \sum_{false(m, n false) \neq false(0, 0 false)} {normalY}_{m, n} {(v + \frac{1}{2})}^{m} J^{n} {(J + 1)}^{n}

and according to the expansion for the 6 1 Σ + state:

E (v, J) = T_{e} + \sum_{m, n} {normalY}_{m, n} {(v + \frac{1}{2})}^{m} J^{n} {(J + 1)}^{n}

while we used the expansion of Ref. for the 4 1 Π state:

E (v, J) = T_{e} + {\sum_{m, n} {normalY}_{m, n} {(v + \frac{1}{2})}^{m} [J (J + 1) - 1]}^{n}

…”

Section: Calculation Methodsmentioning

confidence: 99%

“…The heteronuclear alkali dimmers have attracted interest of both experimental and theoretical scientists involved in various fields: collision dynamics at threshold, photoassociative spectroscopy, and laser cooling and trapping of alkali atoms and remains an attractive research domain . They are at the bridge between various domains and techniques such as high‐resolution molecular spectroscopy, quantum computing using ultracold polar molecules as a new platform, tests of fundamental theories, in addition to ultracold molecular collision dynamics .…”

Section: Introductionmentioning

confidence: 99%

“…Much research efforts have been devoted to the study of the electronic structure of the NaRb molecule, and the experimental studies have investigated not only the ground state 1 1 Σ + but also the excited states 2 1 Σ + , 3 1 Σ + , 6 1 Σ + , 1 3 Σ + , 1 1 Π, 2 1 Π, 1 3 Σ. In Ref.…”

Section: Introductionmentioning

confidence: 99%

“…Following an adiabatic Born–Oppenheimer approach, the different electronic states (29 Σ + , 18 Π, and 10 Δ) are treated independently in spectroscopic investigations. We have determined the vibrational levels spacing for nearly all states and compared with the experimental results . For all these states, the PDM curves are computed here for the first time with the exception of certain studies …”

Section: Introductionmentioning

confidence: 99%

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Ab initio spectroscopic study for the NaRb molecule in ground and excited states

Chaieb

Habli

Mejrissi

et al. 2014

Int J of Quantum Chemistry

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A wide adiabatic study is performed for NaRb molecule, involving 151Σ+ electronic states including the ionic state Na−Rb+, as well as 143Σ+, 1–91,3Π, and 1–51,3Δ states. This investigation is performed using an ab initio approach which involves the effective core potential, the core polarization potential with l‐dependent cut‐off functions. The NaRb system has been treated as a two‐electron system and the full valence configuration interaction is easily achieved. The spectroscopic constants Re, De, Te, ωe, ωexe, Be, and D0 for all these states are derived. We have also computed the vibrational levels as well their spacing for different values of J. In addition, permanent and transition dipole moments are determined and analyzed. The Dunham coefficients have been used to perform experimental spacing to compare directly with our results. The present calculations on NaRb extend previous theoretical works to numerous electronic excited states in the various symmetries. © 2014 Wiley Periodicals, Inc.

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“…We have conducted extensive research on Dunham coefficients to perform experimental vibrational energy level and their spacing following the expansion for the ground state:

E (v, J) = \sum_{false(m, n false) \neq false(0, 0 false)} {normalY}_{m, n} {(v + \frac{1}{2})}^{m} J^{n} {(J + 1)}^{n}

and according to the expansion for the 6 1 Σ + state:

E (v, J) = T_{e} + \sum_{m, n} {normalY}_{m, n} {(v + \frac{1}{2})}^{m} J^{n} {(J + 1)}^{n}

while we used the expansion of Ref. for the 4 1 Π state:

E (v, J) = T_{e} + {\sum_{m, n} {normalY}_{m, n} {(v + \frac{1}{2})}^{m} [J (J + 1) - 1]}^{n}

…”

Section: Calculation Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Ab initio spectroscopic study for the NaRb molecule in ground and excited states

Chaieb

Habli

Mejrissi

et al. 2014

Int J of Quantum Chemistry

View full text Add to dashboard Cite

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“…We emphasize that table I is by no mean an exhaustive listing of spectroscopic studies on bialkali molecules. For example recent studies have been made on LiNa [73,92,[97][98][99][100], LiK [101], LiCs [102], NaK [103], NaRb [104], NaCs [105], KCs [106][107][108][109][110][111][112], RbCs [113][114][115]. However we show in following sections that a more precise de-TABLE I. References for all the electronic PECs used in the calculations (SOCME ≡ Spin-Orbit Coupling Matrix Elements).…”

Section: Molecular Structure Datamentioning

confidence: 98%

Dynamic dipole polarizabilities of heteronuclear alkali dimers: optical response, trapping and control of ultracold molecules

Véxiau

Borsalino

Lepers

et al. 2017

International Reviews in Physical Chemistry

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In this article we address the general approach for calculating dynamical dipole polarizabilities of small quantum systems, based on a sum-over-states formula involving in principle the entire energy spectrum of the system. We complement this method by a few-parameter model involving a limited number of effective transitions, allowing for a compact and accurate representation of both the isotropic and anisotropic components of the polarizability. We apply the method to the series of ten heteronuclear molecules composed of two of ( 7 Li, 23 Na, 39 K, 87 Rb, 133 Cs) alkali-metal atoms. We rely on both up-to-date spectroscopically-determined potential energy curves for the lowest electronic states, and on our systematic studies of these systems performed during the last decade for higher excited states and for permanent and transition dipole moments. Such a compilation is timely for the continuously growing researches on ultracold polar molecules. Indeed the knowledge of the dynamic dipole polarizabilities is crucial to model the optical response of molecules when trapped in optical lattices, and to determine optimal lattice frequencies ensuring optimal transfer to the absolute ground state of initially weakly-bound molecules. When they exist, we determine the so-called "magic frequencies" where the ac-Stark shift and thus the viewed trap depth, is the same for both weakly-bound and ground-state molecules.

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Diabatic investigation for the NaRb molecule

Chaieb

Habli

Mejrissi

et al. 2017

Int J of Quantum Chemistry

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An extensive diabatic investigation of the NaRb species has been carried out for all excited states up to the ionic limit Na -Rb 1 . An ab initio calculation founded on the pseudopotential, core polarization potential operators and full configuration interaction has been used with an efficient diabatization method involving a combination of variational effective hamiltonian theory and an effective overlap matrix. Diabatic potential energy curves and electric dipole moments (permanent and transition) for all the symmetries R 1 , P, and D have been studied for the first time. Thanks to a unitary rotation matrix, the examination of the diabatic permanent dipole moment (PDM) has shown the ionic feature clearly seen in the diabatic 1 R 1 potential curves and confirming the high imprint of the Na -Rb 1 ionic state in the adiabatic representation. Diabatic transition dipole moments have also been computed. Real crossings have been shown for the diabatic PDM, locating the avoided crossings between the corresponding adiabatic energy curves.charge transfer, diabatic curves, effective Hamiltonian theory, electric dipole moments 1 | I N TR ODU C TI ON Cold and ultracold molecules have been the object of quest and considerable interest bringing new opportunities and a wide diversity of applications. Indeed, a key role is played by these molecules when they interact with microwave fields in various fields: microwave trap [1,2] ; adjusting molecule-molecule interaction so as to have new quantum phases [3][4][5] ; probing the dynamics of quantum phase transitions [6,7] ; as well as the use of ultracold molecules in quantum computing. [6,8,9] Furthermore, for materials with nonclassical mechanical comportment, the survey of elasticity [10] is stretched out through the modelisation of rheological phenomena by a new system, which can be delivered from the association of ultracold molecules into chains. Studies of polar molecular systems are of special interest because they give rise to suggested experiences for measuring the lifetime of long-lived energy levels, the Electron permanent electric Dipole Moment (EDM) as well as the impact of dipole-dipole interactions on the specifications of the molecular species'. [11] Besides, affordable novel qualitative regimes formerly unaccessible by ultracold homonuclear (nonpolar) samples [12][13][14] have been yielded thanks to ultracold polar systems interacting with each other through greatly electric anisotropic dipole-dipole forces. Considerable interest has been directed toward the formation of ultracold and cold molecules. Thus, extensive endeavor has been devoted to exploit the alkali-metal dimers characteristics to produce these cold specimen, maybe by consistent process [15][16][17] and photoassociation spectroscopy. [18,19] Many of these procedures imply optical excitement, either in their production or in the steps of detection, so the possession of a proper specification of many excited states of the alkali-metal dimer is necessary. Otherwise, in view of the importance of the NaRb...

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Spectroscopy of mixed alkali dimers by the polarisation labelling technique: Application to NaLi and NaRb molecules

Cited by 10 publications

References 14 publications

Ab initio spectroscopic study for the NaRb molecule in ground and excited states

Ab initio spectroscopic study for the NaRb molecule in ground and excited states

Dynamic dipole polarizabilities of heteronuclear alkali dimers: optical response, trapping and control of ultracold molecules

Diabatic investigation for the NaRb molecule

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