306 citations · 961 across the 30 of their papers we have counts for
3 papers · 1 filter
Quantum sensor in a single layer van der Waals material
Rohit Babar, Gergely Barcza, Anton Pershin +8
Point defect qubits in semiconductors have demonstrated their outstanding high spatial resolution sensing capabilities of broad multidisciplinary interest. Two-dimensional (2D) sem…
Towards large-scale restricted active space calculations inspired by the Schmidt decomposition
Gergely Barcza, Miklós Antal Werner, Gergely Zaránd +4
We present an alternative, memory-efficient, Schmidt decomposition-based description of the inherently bipartite restricted active space (RAS) scheme, which can be implemented effo…
Sensitivity of Coupled Cluster Electronic Properties on the Reference Determinant: Can Kohn-Sham Orbitals Be More Beneficial than Hartree-Fock Orbitals?
Zsolt Benedek, Paula Tímár, Tibor Szilvási +1
Coupled cluster calculations are traditionally performed over Hartree-Fock reference orbitals (HF-CC methodology). However, it has been repeatedly argued in the literature that the…