Lórien MacEnulty

2PUBLICATIONS
67CO-AUTHORS
Theoretical quantum chemistryFormal methods for software
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Publications (2)

|Dec 21, 2025
Failure of Hund's J in Contemporary DFT+U+J: Insights from Spin-Crossover Fe(II) Complexes.

Lórien MacEnulty, João Paulo Almeida de Mendonça, Roberta Poloni

|Oct 29, 2025
Abinit 2025: New capabilities for the predictive modeling of solids and nanomaterials.

Matthieu J Verstraete, Joao Abreu, Guillaume E Allemand

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