Relativistic ab initio study on the spectroscopic and radiative properties of the lowest states and modeling of the optical cycles for the LiFr molecule

Shundalau, M. B.; Lamberti, Patrizia

doi:10.1016/j.jqsrt.2022.108467

Cited by 5 publications

(1 citation statement)

References 60 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Within the same context, the adiabatic and diabatic electronic properties of the alkali dimers FrLi, 21 FrNa, 22 FrCs, 23 and the francium hydride FrH 24 have also been investigated. In a recent study, Shandalau et al 25 conducted a theoretical investigation focusing on the radiative and spectroscopic properties of various electronic states of the FrLi molecule. Additionally, they developed models to analyze the optical cycles of the FrLi heteronuclear system.…”

Section: Introductionmentioning

confidence: 99%

Accurate Ab Initio Investigation of Electronic and Radiative Properties, and Cross Sections for Charged Diatomic Systems FrLi⁺ and FrNa⁺

Ghanmi,

Berriche

2023

ACS Omega

View full text Add to dashboard Cite

This paper presents an extensive ab initio investigation of the electronic properties and elastic collisions of charged diatomic systems FrLi + and FrNa + . We employ an accurate ab initio approach using nonempirical pseudopotentials for Li + , Na + , and Fr + cores. We calculate the potential energy curves of the ground state and low-lying excited states of 2 Σ + , 2 Π, and 2 Δ symmetries, identifying and interpreting avoided crossings between higher 2 Σ + and 2 Π states. The spectroscopic parameters, transition dipole moments, and vibrational energies associated with 1−3 2 Σ + states are calculated, along with the radiative lifetimes of the vibrational states trapped in the 2 2 Σ + state. Using accurate potential energy data, we evaluate partial and total cross sections across a wide range of energies. At low energies (<1 mK), the elastic cross section follows the Wigner law threshold comportment, while at high energies, it scales as E −1/3 . To the best of our knowledge, no theoretical or experimental data have been collected on these charged diatomic systems until now. Hence, we proceeded to analyze our findings by comparing them with data acquired from comparable systems. The information pertaining to electronic structures, spectroscopic parameters, transition properties, and collision data provided in this work is expected to serve as a valuable guideline for future theoretical and experimental research on each considered system.

show abstract

Section: Introductionmentioning

confidence: 99%

Accurate Ab Initio Investigation of Electronic and Radiative Properties, and Cross Sections for Charged Diatomic Systems FrLi⁺ and FrNa⁺

Ghanmi,

Berriche

2023

ACS Omega

View full text Add to dashboard Cite

show abstract

Ab initio potential energy surfaces and spectroscopic and radiative properties of the low-lying states of the radium monohydroxide RaOH radical

Osika,

Sharashkin,

Pitsevich

et al. 2024

Journal of Quantitative Spectroscopy and Radiative Transfer

View full text Add to dashboard Cite

Relativistic coupled cluster study on the spectroscopic and radiative properties of the KFr molecule and modeling of the transport properties of potassium–francium dilute gas medium

Osika,

Meniailava,

Shundalau

2024

Journal of Quantitative Spectroscopy and Radiative Transfer

View full text Add to dashboard Cite

Relativistic ab initio study on the spectroscopic and radiative properties of the lowest states and modeling of the optical cycles for the LiFr molecule

Cited by 5 publications

References 60 publications

Accurate Ab Initio Investigation of Electronic and Radiative Properties, and Cross Sections for Charged Diatomic Systems FrLi⁺ and FrNa⁺

Accurate Ab Initio Investigation of Electronic and Radiative Properties, and Cross Sections for Charged Diatomic Systems FrLi⁺ and FrNa⁺

Ab initio potential energy surfaces and spectroscopic and radiative properties of the low-lying states of the radium monohydroxide RaOH radical

Relativistic coupled cluster study on the spectroscopic and radiative properties of the KFr molecule and modeling of the transport properties of potassium–francium dilute gas medium

Contact Info

Product

Resources

About

Relativistic ab initio study on the spectroscopic and radiative properties of the lowest states and modeling of the optical cycles for the LiFr molecule

Cited by 5 publications

References 60 publications

Accurate Ab Initio Investigation of Electronic and Radiative Properties, and Cross Sections for Charged Diatomic Systems FrLi+ and FrNa+

Accurate Ab Initio Investigation of Electronic and Radiative Properties, and Cross Sections for Charged Diatomic Systems FrLi+ and FrNa+

Ab initio potential energy surfaces and spectroscopic and radiative properties of the low-lying states of the radium monohydroxide RaOH radical

Relativistic coupled cluster study on the spectroscopic and radiative properties of the KFr molecule and modeling of the transport properties of potassium–francium dilute gas medium

Contact Info

Product

Resources

About

Accurate Ab Initio Investigation of Electronic and Radiative Properties, and Cross Sections for Charged Diatomic Systems FrLi⁺ and FrNa⁺

Accurate Ab Initio Investigation of Electronic and Radiative Properties, and Cross Sections for Charged Diatomic Systems FrLi⁺ and FrNa⁺