39 citations · 40 across the 2 of their papers we have counts for
2 papers
cond-mat.str-el2020★ 1 cited
DMRG on top of plane-wave Kohn-Sham orbitals: case study of defected boron nitride
Gergely Barcza, Viktor Ivády, Tibor Szilvási +4
In this paper, we analyze the numerical aspects of the inherently multi-reference density matrix renormalization group (DMRG) calculations on top of the periodic Kohn-Sham density…
cond-mat.mtrl-sci2009★ 39 cited
The absorption spectrum of hydrogenated silicon carbide nanocrystals from ab initio calculations
Márton Vörös, Péter Deák, Thomas Frauenheim +1
The electronic structure and absorption spectrum of hydrogenated silicon carbide nanocrystals (SiCNC) have been determined by first principles calculations. We show that the recons…