4 citations
3 papers
physics.atom-ph2026★ 1 cited
A Comparative Study of Correlation and Relativistic Effects on Atomic Ionization Energy
Mohamed Kahil, Fatima Fakih, Nabil Joudieh +1
This study investigates the interplay between relativistic effects and electron correlation effects on the first ionization energies of heavy atoms (Au through Rn, Z = 79-86). We p…
physics.atm-clus2026★ 2 cited
Quantum Study of Dispersion-Corrected Electronic and Optical Properties of syn- and anti- B18H22 Clusters with/without Sulfur Doping for Tunable Optoelectronics
Fakher Abbas, Nabil Joudieh, Habib Abboud +1
This study presents a detailed quantum chemical investigation of the electronic and excited-state properties of syn- and anti-isomers of the borane cluster B18H22 and their sulfur-…
physics.atm-clus2026★ 4 cited
Quantum Study of Halogen Substituted anti-B18H22 Borane Clusters for Optoelectronics
Mahmoud Deeb, Nabil Joudieh, Nidal Chamoun +1
We offer a quantum chemical analysis of mono-halogenated borane molecules using DFT and TD-DFT theories, applying the PBE0/def2-SVPD and B3LYP/6-311+G(d) methods as implemented in…