263 citations · 1.1k across the 28 of their papers we have counts for
3 papers · 1 filter
First principles vs second principles: Role of charge self-consistency in strongly correlated systems
Swagata Acharya, Dimitar Pashov, Alexander N. Rudenko +3
First principles approaches have been successful in solving many-body Hamiltonians for real materials to an extent when correlations are weak or moderate. As the electronic correla…
Common microscopic origin of the phase transitions in TaNiS and the excitonic insulator candidate TaNiSe
Lukas Windgätter, Malte Rösner, Giacomo Mazza +5
The structural phase transition in TaNiSe has been envisioned as driven by the formation of an excitonic insulating phase. However, the role of structural and electronic in…
Quantum embedding methods for correlated excited states of point defects: Case studies and challenges
Lukas Muechler, Danis I. Badrtdinov, Alexander Hampel +3
A quantitative description of the excited electronic states of point defects and impurities is crucial for understanding materials properties, and possible applications of defects…