High-temperature partition functions, specific heats and spectral radiative properties of diatomic molecules with an improved calculation of energy levels
The level energies of diatomic molecules calculated by the frequently used Dunham
expansion will become less accurate for high-lying vibrational and rotational levels. In this …
expansion will become less accurate for high-lying vibrational and rotational levels. In this …
Laser-cooled HgF as a promising candidate to measure the electric dipole moment of the electron
In order to realize more sensitive measurement of the electron's electric dipole moment (e
EDM), it would be worthwhile to find new laser-cooled molecules with large internal effective …
EDM), it would be worthwhile to find new laser-cooled molecules with large internal effective …
Electronic structure with the calculation of the rovibrational, and dipole moments of the electronic states of the NaBr and KBr molecules
Due to the lack of the electronic structure of NaBr and KBr diatomic molecules, a systematic
investigation of the electronic structure of these molecules was performed using ab initio …
investigation of the electronic structure of these molecules was performed using ab initio …
Theoretical study of laser cooling of the TlF+ molecular ion
W Chmaisani, S Elmoussaoui - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
The feasibility of the thallium monofluoride TlF+ molecular ion towards laser cooling is
brought into focus through an electronic structure study. Ab initio calculations are carried out …
brought into focus through an electronic structure study. Ab initio calculations are carried out …
Electronic Structure with Rovibrational Calculations of the Magnesium Monohalides MgX and Their Cations MgX+ (X = Cl, Br, and I)
Alkaline-earth monohalides are popular compounds that are used in various applications.
Little is known, however, in terms of electronic structure, about their cations and their low …
Little is known, however, in terms of electronic structure, about their cations and their low …
Electronic structure of the SrH+ and BaH+ molecules with dipole moment and rovibrational calculations
The alkaline-earth metal hydrides and their corresponding ions are heteronuclear molecules
that are essential in many fields especially in astrophysics and spectroscopy such as …
that are essential in many fields especially in astrophysics and spectroscopy such as …
Structural investigation for the low-lying electronic states with rovibrational calculations of the alkaline-earth fluoride cations XF+ (X= Be, Mg, Ca)
Due to the lack of theoretical data about the electronic structure on the molecular cations
BeF+, MgF+ and CaF+, an accurate ab initio calculations have been investigated for these …
BeF+, MgF+ and CaF+, an accurate ab initio calculations have been investigated for these …
Theoretical electronic structure and rovibrational calculations with spin-orbit effect of the HgCl low-lying electronic states
S Elmoussaoui, W Chmaisani - Chemical Physics Letters, 2020 - Elsevier
This work focuses on the electronic structure of the low-lying states of the heavy polar
diatomic molecule HgCl. Ab-initio calculations are performed at complete active-space self …
diatomic molecule HgCl. Ab-initio calculations are performed at complete active-space self …
Theoretical study of spectroscopic constants and transition properties of silicon hydride cation
YG Zhang, G Dou, J Cui, Y Yu - Journal of Molecular Structure, 2018 - Elsevier
The potential energy curves and dipole moments for the lowest seven Λ− S states
correlating to three dissociation limits Si+(P 2 u)+ H (S g 2), Si+(P g 4)+ H (S g 2), and Si (D …
correlating to three dissociation limits Si+(P 2 u)+ H (S g 2), Si+(P g 4)+ H (S g 2), and Si (D …
Theoretical investigation of the HgF radical towards laser cooling and eEDM measurement
In order to realize more sensitive eEDM measurement, it would be worthwhile to find some
new laser-cooled molecules with larger internal effective electric field (E $ _ {eff} $), higher …
new laser-cooled molecules with larger internal effective electric field (E $ _ {eff} $), higher …