7 citations · 8 across the 2 of their papers we have counts for
4 papers
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…
Symmetric single-impurity Kondo model on a tight-binding chain: a comparison of analytical and numerical ground-state approaches
Gergely Barcza, Kevin Bauerbach, Fabian Eickhoff +3
We analyze the ground-state energy, local spin correlation, impurity spin polarization, impurity-induced magnetization, and corresponding zero-field susceptibilities of the symmetr…
Ab initio theory of negatively charged boron vacancy qubit in hBN
Viktor Ivády, Gergely Barcza, Gergő Thiering +5
Highly correlated orbitals coupled with phonons in two-dimension are identified for paramagnetic and optically active boron vacancy in hexagonal boron nitride by first principles m…
Quantum information-based analysis of electron-deficient bonds
Jan Brandejs, Libor Veis, Szilárd Szalay +3
Recently, the correlation theory of the chemical bond was developed, which applies concepts of quantum information theory for the characterization of chemical bonds, based on the m…