[HTML][HTML] Laser cooling and electronic structure of Be halide anions BeX−(X= Cl, Br, F, and I)

A Madi, N El-Kork, I Zeid, M Korek - The Journal of Chemical Physics, 2022 - pubs.aip.org
The adiabatic potential energy curves of the low lying electronic states of the Be halide
anions BeX−(Cl, Br, F, and I) have been investigated in the representation 2s+ 1 Λ (+/−) by
using the complete active space self-consistent field with a multireference configuration
interaction method. The spectroscopic parameters T e, R e, ω e, and B e and the static and
transition dipole moment μ e were studied, and a rovibrational study of the investigated
electronic states was performed. New electronic states were investigated here for the first …
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