most citedMultichannel active-space embedding of atomic multiplets in plane-wave DFT/PAW for core-level spectroscopies

2 citations · 2 across the 1 of their papers we have counts for

collaborators
Showing cond-mat.str-elShow all

1 paper · 1 filter

cond-mat.str-el2025★ 2 cited

Multichannel active-space embedding of atomic multiplets in plane-wave DFT/PAW for core-level spectroscopies

Alessandro Mirone, Mauro Rovezzi, Christoph Sahle +1

We introduce an active-space embedding framework for core-level spectroscopies that connects localized atomic multiplets to continuum resonances within a plane-wave DFT/PAW descrip…