A theoretical electronic structure with a feasibility study of laser cooling of LaNa molecules with a spin orbit effect

I Zeid, N El-Kork, W Chmaisani, M Korek - … Chemistry Chemical Physics, 2022 - pubs.rsc.org
The electronic structure with the spin orbit effect of the molecule LaNa has been studied in
the present work using the Multi-Reference Configuration Interaction MRCI calculations …

Theoretical Investigation on the Low-Lying States of LaP Molecule

N Elkahwagy, A Ismail, SMA Maize… - Chinese Physics …, 2018 - iopscience.iop.org
The completely unexplored LaP molecule is investigated by ab initio methods. Potential
energy curves for the low-lying states of LaP are constructed by means of the diffusion …

Diffusion Monte Carlo calculations on the low-lying states of LaX (X= Ge, As, Te)

N Elkahwagy, A Ismail - Canadian Journal of Physics, 2023 - cdnsciencepub.com
The spectroscopic and molecular properties of the title molecules have been investigated by
means of the diffusion Monte Carlo (DMC) method, to provide theoretical information for …

Diffusion Monte Carlo calculations on LaB molecule

N Elkahwagy, A Ismail, SMA Maize… - Chinese Physics …, 2018 - iopscience.iop.org
Potential energy curves for the lowest electronic states of LaB and LaB− have been
calculated by ab initio calculations. The diffusion Monte Carlo method has been employed in …

Ab initio investigation on the low-lying states of LaX (X = Se, Sn, Sb)

N Elkahwagy, M Abdelfatah… - Canadian Journal of …, 2021 - cdnsciencepub.com
Potential energy curves for the low-lying electronic states of the title molecules in their
neutral and anionic forms have been calculated by means of the diffusion Monte Carlo …

Theoretical calculation of the low-lying electronic states of the LaH molecule

S Mahmoud, M Korek - Canadian Journal of Chemistry, 2014 - cdnsciencepub.com
The potential energy curves of the low-lying electronic states of the LaH molecule are
reported via the CASSCF method with multireference calculations (single and double …

New insight into the spectroscopy of LaH by ab-initio methods

J Assaf, R Assaf, ECM Nascimento - Computational and Theoretical …, 2021 - Elsevier
By ab-initio methods, the spectroscopy of lanthanum hydride molecule LaH is predicted and
the states involved in all the observed band systems are assigned. So, 34 low-lying 1, 3 Λ …

Jet-cooled laser-induced fluorescence spectroscopy of ScH: Observation of an Ω′= 2− Ω ″= 1 transition

S Mukund, S Bhattacharyya, SG Nakhate - Journal of Quantitative …, 2014 - Elsevier
New bands of scandium monohydride at origins 17,914.5 and 17,942.3 cm− 1 have been
observed in a jet-cooled beam with laser-induced fluorescence spectroscopy. Mass …

Observation of a new Ω= 1 excited state in LaH

S Yarlagadda, S Mukund, S Bhattacharyya… - Journal of Molecular …, 2013 - Elsevier
We report the observation of an Ω= 1 electronic state with T 0= 20041.96 (1) and T 1=
21359.1 (5) cm− 1. This state was identified by analyzing the laser-induced fluorescence …

Observation of two new Ω= 0+ electronic states in LaH

S Yarlagadda, S Mukund, S Bhattacharyya… - Journal of Quantitative …, 2014 - Elsevier
Two new excited electronic states of LaH were identified at T 0= 21970.7 and 22100.3 cm− 1
in rotationally resolved laser-induced fluorescence jet-cooled excitation spectra. The …