44 citations · 47 across the 3 of their papers we have counts for
4 papers
The NewMag crystal-field code for f-element systems: Implementation for extended active spaces, second-order correlated energies, and generalisation to fn configurations
Gwenhaël Duplaix-Rata, Dumitru-Claudiu Sergentu, Boris Le Guennic +1
We report a massive update of the NewMag program, which enables to extract Stevens crystal-field parameters (CFPs) after relativistic and multiconfigurational calculations are perf…
\emph{Ab initio} derivation of the crystal field parameters for lanthanide ions: The f case
Dumitru-Claudiu Sergentu, Gwenhaël Duplaix-Rata, Ionel Humelnicu +2
The crystal field theory as explained by Abragam and Bleaney in their landmark 1970 book on transition-ion electron paramagnetic resonance remains a cornerstone in the development…
The resolution of the weak-exchange limit made rigorous, simple and general in binuclear complexes
Dumitru-Claudiu Sergentu, Boris Le Guennic, Rémi Maurice
The correct interpretation of magnetic properties in the weak-exchange regime has remained a challenging task for several decades. In this regime, the effective exchange interactio…
Chemical Design of Electronic and Magnetic Energy Scales in Tetravalent Praseodymium
Arun Ramanathan, Jensen Kaplan, Dumitru-Claudiu Sergentu +9
Lanthanides in the trivalent oxidation state are typically described using an ionic picture that leads to localized magnetic moments. The hierarchical energy scales associated with…