An article published by PhLAM laboratory highlighted in Physical Review Letters.
Researchers from PhLAM laboratory published a study selected in the top 3 "highlights" of Physical Review Letters - December 2018 edition.
" In our work we introduce a promising computational approach for calculating binding energies [...], and have applied it to study the effect of solvation on the binding energies of halogen anions, from fluoride to iodide, relevant to atmospherical issues. " team says.
This study takes part in the WP6 and has been supported by the Labex CaPPA project.
Full resume to be read on the website of the laboratory :
Predictive Simulations of Ionization Energies of Solvated Halide Ions with Relativistic Embedded Equation of Motion Coupled Cluster Theory
Yassine Bouchafra, Avijit Shee, Florent Réal, Valérie Vallet, et André Severo Pereira Gomes
Phys. Rev. Lett. 121, 266001