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20222026
most citedChemical Design of Electronic and Magnetic Energy Scales in Tetravalent Praseodymium

44 citations · 47 across the 3 of their papers we have counts for

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physics.chem-ph2026

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…