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physics.chem-ph2026
Potential Energy Curves of Hydrogenic Halides HX(F,Cl,Br) and i-DMFT Method
H Olivares Pilon, A V Turbiner
A comparison of the {\it ab initio} calculations using the i-DMFT Method by Di Liu et al. (2025) with benchmark potential curves for three HX(F,Cl,Br) halides shows their inaccurac…
physics.chem-ph2024
Towards the "puzzle" of Chromium dimer Cr: predicting the Born-Oppenheimer rovibrational spectrum
Horacio Olivares-Pilón, Daniel Aguilar-Díaz, Alexander V. Turbiner
The experimentally-observed non-trivial electronic structure of the Cr dimer has made the calculation of its potential energy curve a theoretical challenge in the last decades.…