67 citations · 91 across the 3 of their papers we have counts for
3 papers
Novel approaches to spectral properties of correlated electron materials: From generalized Kohn-Sham theory to screened exchange dynamical mean field theory
Pascal Delange, Steffen Backes, Ambroise van Roekeghem +3
The most intriguing properties of emergent materials are typically consequences of highly correlated quantum states of their electronic degrees of freedom. Describing those materia…
Crystal field splittings in rare earth-based hard magnets: an ab initio approach
Pascal Delange, Silke Biermann, Takashi Miyake +1
We apply the first-principles density functional theory + dynamical mean field theory framework to evaluate the crystal field splitting on rare earth sites in hard magnetic interme…
Large effects of subtle electronic correlations on the energetics of vacancies in alpha-Fe
Pascal Delange, Thomas Ayral, Sergei I. Simak +4
We study the effect of electronic Coulomb correlations on the vacancy formation energy in paramagnetic alpha-Fe within ab initio dynamical mean-field theory. The calculated value f…