30 citations · 76 across the 11 of their papers we have counts for
11 papers
Persistence and emergence of quantum defects through pressure-induced phase changes
Alexander J Healey, Alan Salek, Christopher T-K Lew +15
Extreme pressures can transform materials and their properties, but probing these in-situ is made challenging by the small sample volumes and access requirements demanded by diamon…
Natural van der Waals silicates as hosts for telecom quantum emitters: the case of erbium-doped talc
Gellért Dolecsek, Zsolt Benedek, Nguyen Tien Son +1
Erbium ion is among the most promising solid-state single photon emitters and spin-photon interfaces for quantum networks, emitting directly in the telecom C-band in many host semi…
Accurate description of the electronic states of the V center in hBN by wavefunction theory
Zsolt Benedek, Ádám Ganyecz, Oscar Bulancea-Lindvall +2
Ensembles of negatively charged boron vacancy (V) centers in hexagonal boron nitride (hBN) have emerged as a two-dimensional spin qubit system interfaced with optics…
Demonstration of the ODMR activity of the telecom range ClV center in SiC: a wavefunction theory analysis
Zsolt Benedek, Oscar Bulancea-Lindvall, Joel Davidsson +2
Recently, density functional theory-based high-throughput screening of point defects in 4H-SiC revealed the positively charged chlorine-vacancy (ClV) defect to be a promising quant…
Assessing the Reliability of Truncated Coupled Cluster Wavefunction: Estimating the Distance from the Exact Solution
Ádám Ganyecz, Zsolt Benedek, Klára Petrov +4
A new approach is proposed to assess the reliability of the truncated wavefunction methods by estimating the deviation from the full configuration interaction (FCI) wavefunction. W…
Identifying high-energy electronic states of NV centers in diamond
Minh Tuan Luu, Christopher Linderälv, Zsolt Benedek +4
The negatively charged nitrogen-vacancy center in diamond is a prototype photoluminescent point defect spin qubit with promising quantum technology applications, enabled by its eff…
Accurate and convergent energetics of color centers by wavefunction theory
Zsolt Benedek, Ádám Ganyecz, Anton Pershin +2
Ab initio description of point defects in semiconductors, characterized by in-gap states of significant multideterminant character, presents a longstanding theoretical challenge fo…
First principles theory of the nitrogen interstitial in hBN: a plausible model for the blue emitter
Ádám Ganyecz, Rohit Babar, Zsolt Benedek +3
Color centers in hexagonal boron nitride (hBN) have attracted considerable attention due to their remarkable optical properties enabling robust room temperature photonics and quant…
Symmetric carbon tetramers forming chemically stable spin qubits in hBN
Zsolt Benedek, Rohit Babar, Ádám Ganyecz +4
Point defect quantum bits in semiconductors have the potential to revolutionize sensing at atomic scales. Currently, vacancy related defects, such as the NV center in diamond and t…
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…