Formation of cold molecular ions by radiative processes in cold ion-atom collisions

Rakshit, Arpita; Deb, Bimalendu

doi:10.1103/physreva.83.022703

Cited by 30 publications

(37 citation statements)

References 52 publications

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“…The low-energy collisions for the alkali ion and an alkali atom system have also been performed [32]. Recently, Rakshit et al [33] have theoretically investigated (BeLi) + system at low energy predicting the possibility of formation of the cold molecular ion by photoassociation (PA) process.…”

Section: Introductionmentioning

confidence: 99%

Spectroscopic properties of the molecular ions BeX⁺ (X=Na, K, Rb): forming cold molecular ions from an ion–atom mixture by stimulated Raman adiabatic process

et al. 2018

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In this theoretical work, we calculate potential energy curves, spectroscopic parameters and transition dipole moments of molecular ions BeX + (X=Na, K, Rb) composed of alkaline ion Be and alkali atom X with a quantum chemistry approach based on the pseudopotential model, Gaussian basis sets, effective core polarization potentials, and full configuration interaction (CI). We study in detail collisions of the alkaline ion and alkali atom in quantum regime. Besides, we study the possibility of the formation of molecular ions from the ion-atom colliding systems by stimulated Raman adiabatic process and discuss the parameters regime under which the population transfer is feasible. Our results are important for ion-atom cold collisions and experimental realization of cold molecular ion formation.

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Section: Introductionmentioning

confidence: 99%

Spectroscopic properties of the molecular ions BeX⁺ (X=Na, K, Rb): forming cold molecular ions from an ion–atom mixture by stimulated Raman adiabatic process

et al. 2018

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“…The diatomic molecules containing alkali-alkaline-earthmetals (XY; Y = Li, Na, K, Rb, Cs) have strong longrange interactions owing to their large dipole moments [32,33]. Their spectroscopic constants and molecular properties have been investigated by several research * Electronic address: rbala@ph.iitr.ac.in groups [32,[34][35][36][37]. Both CaLi and SrLi molecules have also been proposed for the study of m p /m e [38].…”

Section: Introductionmentioning

confidence: 99%

Calculations of electronic properties and vibrational parameters of alkaline-earth lithides: MgLi⁺ and CaLi⁺

et al. 2018

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The 1 Σ + electronic ground states of MgLi + and CaLi + molecular ions are investigated for their spectroscopic constants and properties such as the dipole-and quadrupole moments, and static dipole polarizabilities. The quadrupole moments and the static dipole polarizabilities for these ions have been calculated and reported here, for the first time. The maximum possible error bars, arising due to the finite basis set and the exclusion of higher correlation effects beyond partial triples, are quoted for reliability. Further, the adiabatic effects such as diagonal Born-Oppenheimer corrections are also calculated for these molecules. The vibrational energies, the wavefunctions, and the relevant vibrational parameters are obtained by solving the vibrational Schrödinger equation using the potential energy curve and the permanent dipole moment curve of the molecular electronic ground state. Thereafter, spontaneous and black-body radiation induced transition rates are calculated to obtain the lifetimes of the vibrational states. The lifetime of rovibronic ground state for MgLi + , at room temperature, is found to be 2.81 s and for CaLi + it is 3.19 s. It has been observed that the lifetime of the highly excited vibrational state is several times larger than (comparable to) that of the vibrational ground state of MgLi + (CaLi + ). In addition, a few low-lying electronic excited states of Σ and Π symmetries have been investigated for their electronic and vibrational properties, using EOM-CCSD method together with the QZ basis sets.

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“…By analyzing all relevant optical transitions and allowing for a second optical excitation to an intermediate excited state to increase the efficiency of the processs, we found an optimal set of pathways that could lead to efficient production of ultracold NaCa + ions. Our approach is motivated by the fact that the PA is a highly successful and state-selective method of production of cold diatomic molecules from ultracold atomic gases [1,[46][47][48] native to RA or RCX in molecular ions with favorable electronic structure [35]. Our choice of the system was motivated by ongoing experiments [40], existing theoretical results [39], and the fact that similar electronic configuration of the outer shell is shared by other molecular ion species currently of interest [34].…”

Section: Introductionmentioning

confidence: 99%

Production ofNaCa+molecular ions in the ground state from cold atom-ion mixtures by photoassociation via an intermediate state

2016

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We present a theoretical analysis of optical pathways for formation of cold ground state (NaCa) + molecular ions via an intermediate state. The formation schemes are based on ab initio potential energy curves and transition dipole moments calculated using effective-core-potential methods of quantum chemistry. In the proposed approach, starting from a mixture of cold trapped Ca + ions immersed into an ultracold gas of Na atoms, (NaCa) + molecular ions are photoassociated in the excited E 1 Σ + electronic state and allowed to spontaneously decay either to the ground electronic state or an intermediate state from which the population is transferred to the ground state via an additional optical excitation. By analyzing all possible pathways, we find that the efficiency of a two-photon scheme, via either B 1 Σ + or C 1 Σ + potential, is sufficient to produce significant quantities of ground state (NaCa) + molecular ions. A single-step process results in lower formation rates that would require either a high density sample or a very intense photoassociation laser to be viable.

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Formation of cold molecular ions by radiative processes in cold ion-atom collisions

Abstract: We discuss theoretically ion-atom collisions at low energy and predict the possibility of the formation of a cold molecular ion by photoassociation. We present results from radiative homo-and heteronuclear atom-ion cold collisions that reveal threshold behavior of atom-ion systems.

Cited by 30 publications

References 52 publications

Spectroscopic properties of the molecular ions BeX⁺ (X=Na, K, Rb): forming cold molecular ions from an ion–atom mixture by stimulated Raman adiabatic process

Spectroscopic properties of the molecular ions BeX⁺ (X=Na, K, Rb): forming cold molecular ions from an ion–atom mixture by stimulated Raman adiabatic process

Calculations of electronic properties and vibrational parameters of alkaline-earth lithides: MgLi⁺ and CaLi⁺

Production ofNaCa+molecular ions in the ground state from cold atom-ion mixtures by photoassociation via an intermediate state

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Formation of cold molecular ions by radiative processes in cold ion-atom collisions

Abstract: We discuss theoretically ion-atom collisions at low energy and predict the possibility of the formation of a cold molecular ion by photoassociation. We present results from radiative homo-and heteronuclear atom-ion cold collisions that reveal threshold behavior of atom-ion systems.

Cited by 30 publications

References 52 publications

Spectroscopic properties of the molecular ions BeX+ (X=Na, K, Rb): forming cold molecular ions from an ion–atom mixture by stimulated Raman adiabatic process

Spectroscopic properties of the molecular ions BeX+ (X=Na, K, Rb): forming cold molecular ions from an ion–atom mixture by stimulated Raman adiabatic process

Calculations of electronic properties and vibrational parameters of alkaline-earth lithides: MgLi+ and CaLi+

Production ofNaCa+molecular ions in the ground state from cold atom-ion mixtures by photoassociation via an intermediate state

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Spectroscopic properties of the molecular ions BeX⁺ (X=Na, K, Rb): forming cold molecular ions from an ion–atom mixture by stimulated Raman adiabatic process

Spectroscopic properties of the molecular ions BeX⁺ (X=Na, K, Rb): forming cold molecular ions from an ion–atom mixture by stimulated Raman adiabatic process

Calculations of electronic properties and vibrational parameters of alkaline-earth lithides: MgLi⁺ and CaLi⁺