275 citations · 281 across the 5 of their papers we have counts for
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physics.chem-ph2025
Orbital Optimization and Neural-Network-Assisted Configuration Interaction Calculations of Rydberg States
Gianluca Levi, Max Kroesbergen, Louis Thirion +5
Rydberg excited states of molecules pose a challenge for electronic structure calculations because of their highly diffuse electron distribution. Even large and elaborate atomic ba…
physics.chem-ph2023★ 4 cited
Evidence of sharp transitions between octahedral and capped trigonal prism states of the solvation shell of Fe(aq)
Amrita Goswami, Alejandro Peña-Torres, Elvar Ö. Jónsson +2
The structure of the solvation shell of aqueous Fe ion has been a subject of controversy due to discrepancies between experiments and different levels of theory. We address…