Experimental study of the 
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 state of the rubidium dimer

Arndt, Phillip; Sovkov, V. B.; Ma, Jie; Pan, Xinhua; Beecher, David; Tsai, Jeng; Guan, Yan‐Qing; Lyyra, A. M.; Ahmed, Ergin

doi:10.1103/physreva.99.052511

Cited by 13 publications

(5 citation statements)

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“…Through a bibliographic review, various computational and experimental studies were intensively focused on the homonuclear alkali dimer. − The authors have determined the potential curves, the transition dipole moments between the ion-pair states and the lifetimes. Lim et al determined the bond length and the dissociation energy of Fr 2 using various approaches based on a relativistic coupled-cluster method or density functional theory.…”

Section: Introductionmentioning

confidence: 99%

Non-Relativistic Electronic-Structure Computation of Neutral and Cationic Systems [Fr₂, Fr–AEM⁺ (AEM= Ca, Sr, Ba)]

Jellali

Habli

2022

J. Phys. Chem. A

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The experimental field of ultracold ion-atom mixtures including an alkali-metal atom and an alkaline-earthmetal ion as well as of homonuclear alkali dimers has paved the way for creating and manipulating the ultracold molecules. The present paper is focused on a study of molecules such us francium dimer and a comparative spectroscopic investigation of the cationic systems Fr−(Ca + , Sr + , Ba + ). We adopt a computational scheme without spin−orbit coupling reposed on the full configuration interaction and semi-empirical pseudo-potential theory of the atomic cores Fr + , Ca 2+ , Sr 2+ , and Ba 2+ with extended and optimized basis sets. We have determined the adiabatic potentials with their relative spectroscopic constants, the electric dipole moments and the vibrational levels spacings for the 1,3 Σ u,g + and 1,3 Σ + electronic states for Fr 2 and Fr−AEM + , respectively, correlated toward {Fr(7s) + Fr(7s, 7p, 6d, 8s, 8p)}, {Ca(4s 2 , 4s4p, 4s3d), Sr(5s 2 , 5s5p, 5s4d), Ba(6s 2 , 6s6p, 6s5d) + Fr + }, and {Ca + (4s, 3d), Sr + (5s, 4d), Ba + (6s, 5d) + Fr(7s, 7p)}. The accuracy and reliability of the current results are discussed by comparing with theoretical data available in the literature. The occurrence of some avoided crossings between the neighboring electronic states is leading to a charge or excitation transfer for atom−ion collisions in the diverse charge or excited states. The Σ + −Σ + transitions are determined in order to evaluate the future radiative lifetimes of vibrational states serving the direct laser cooling.

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Section: Introductionmentioning

confidence: 99%

Non-Relativistic Electronic-Structure Computation of Neutral and Cationic Systems [Fr₂, Fr–AEM⁺ (AEM= Ca, Sr, Ba)]

Jellali

Habli

2022

J. Phys. Chem. A

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“…The alkali metal atoms have a simple electronic structure, which exhibits dipole transitions in the visible range with large oscillator strengths, which permits experimental − studies of the excited states by the technique of laser excitation. On the other hand, noble gas atoms present a dynamic area of research because among the only chemical properties of krypton are fairly understood.…”

Section: Introductionmentioning

confidence: 99%

Potential Energy Surface and Bound States of Ne–Li₂⁺(X²Σ_g⁺) van der Waals Complex Based on Ab Initio Calculations

Mabrouk,

Dhiflaoui,

Saidi

et al. 2023

J. Phys. Chem. A

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Theoretical studies of the potential energy surface and vibrational bound states calculations were performed for the ground state of the Ne–Li2 +(X 2Σg +) van der Waals (vdW) complex. The intermolecular interactions were investigated by using an accurate monoconfigurational RCCSD(T) method and large basis sets (aug-cc-pVnZ, n = T, Q, 5), extrapolated to the complete basis set (CBS) limit. In turn, the obtained raw data from RCCSD(T)/CBS(Q5) calculations were numerically interpolated using the Morse + vdW model and the Reproducing Kernel Hilbert Space (RKHS) polynomial method to generate analytic expressions for the 2D-PES. The RKHS interpolated PES was then used to assess the bound states of the Ne–Li2 +(X 2Σg +) system through nuclear quantum calculations. By studying the aspect of the potential energy surface, the analysis sheds light on the behavior of the Ne–Li2 +(X 2Σg +) complex and its interactions between repulsive and attractive forces with other particles. By examining the vibrational states and wave functions of the system, the researchers were able to gain a better understanding of the behavior of the Ne–Li2 +(X 2Σg +) complex. The calculated radial and angular distributions for all even and odd symmetries are discussed in detail. We observe that the radial distributions exhibit a more complicated nodal structure, representing stretching vibrational behavior in the neon atom along its radial coordinate. For the highest bound states, the situation is very different, and the energies surpass the angular barrier.

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“…Concerning higher excited electronic states, their spectroscopic investigations by laser techniques started in the last decades of the previous century, in particular from extensive studies by Amiot and co-workers ( [10,11,12]). However, despite of considerable progress achieved in recent years [13,14,15,16,17,18,19,20,21,22,23,24,25,26], there are surprising gaps in their experimental knowledge. State-of-the-art theoretical calculations on rubidium dimer [19,27] give a qualitative picture of its energy structure but precision of the predicted molecular constants is still far below spectroscopic accuracy.…”

Section: Introductionmentioning

confidence: 99%

The C(2)$^1Π_u$ state in Rb$_2$. Observation and deperturbation

Pashov,

Kowalczyk,

Szczepkowski

et al. 2022

Preprint

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We report a systematic study of the C(2) 1 Π u electronic state in rubidium dimer, observed in polarization labelling spectroscopy experiment through the C ← X 1 Σ + g transitions recorded under rotational resolution in two isotopologues 85 Rb 2 and 85 Rb 87 Rb. Regularity of the vibrational progressions was distorted by numerous interactions with the surrounding 2 1 Σ + u , 2 3 Π u and 3 3 Σ + u states. Deperturbation was performed by coupled-channels analysis taking into account spin-orbit and rotational interactions. Potential energy curves and parameters describing the off-diagonal matrix elements were determined as functions of internuclear distance. About 3000 line frequencies from the present study are reproduced with a standard deviation of 0.07 cm −1 , in agreement with the experimental accuracy. Along with this, the model is consistent with all high resolution experimental data on the involved electronic states, available in the literature.

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Experimental study of the 61Σg+ state of the rubidium dimer

Cited by 13 publications

References 98 publications

Non-Relativistic Electronic-Structure Computation of Neutral and Cationic Systems [Fr₂, Fr–AEM⁺ (AEM= Ca, Sr, Ba)]

Non-Relativistic Electronic-Structure Computation of Neutral and Cationic Systems [Fr₂, Fr–AEM⁺ (AEM= Ca, Sr, Ba)]

Potential Energy Surface and Bound States of Ne–Li₂⁺(X²Σ_g⁺) van der Waals Complex Based on Ab Initio Calculations

The C(2)$^1Π_u$ state in Rb$_2$. Observation and deperturbation

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Experimental study of the 61Σg+ state of the rubidium dimer

Cited by 13 publications

References 98 publications

Non-Relativistic Electronic-Structure Computation of Neutral and Cationic Systems [Fr2, Fr–AEM+ (AEM= Ca, Sr, Ba)]

Non-Relativistic Electronic-Structure Computation of Neutral and Cationic Systems [Fr2, Fr–AEM+ (AEM= Ca, Sr, Ba)]

Potential Energy Surface and Bound States of Ne–Li2+(X2Σg+) van der Waals Complex Based on Ab Initio Calculations

The C(2)$^1Π_u$ state in Rb$_2$. Observation and deperturbation

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Product

Resources

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Non-Relativistic Electronic-Structure Computation of Neutral and Cationic Systems [Fr₂, Fr–AEM⁺ (AEM= Ca, Sr, Ba)]

Non-Relativistic Electronic-Structure Computation of Neutral and Cationic Systems [Fr₂, Fr–AEM⁺ (AEM= Ca, Sr, Ba)]

Potential Energy Surface and Bound States of Ne–Li₂⁺(X²Σ_g⁺) van der Waals Complex Based on Ab Initio Calculations