30 citations · 50 across the 8 of their papers we have counts for
8 papers
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…
Orbital optimization of large active spaces via AI-accelerators
Örs Legeza, Andor Menczer, Ádám Ganyecz +6
We present an efficient orbital optimization procedure that combines the highly GPU accelerated, spin-adapted density matrix renormalization group (DMRG) method with the complete a…
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…
Carbon-contaminated topological defects in hexagonal boron nitride for quantum photonics
Rohit Babar, Ádám Ganyecz, Igor A. Abrikosov +2
Topological defects, such as Stone-Wales defects and grain boundaries, are common in 2D materials. In this study, we investigate the intricate interplay of topological defects and…
Near-coherent quantum emitters in hexagonal boron nitride with discrete polarization axes
Jake Horder, Dominic Scognamiglio, Ádám Ganyecz +4
Hexagonal boron nitride (hBN) has recently gained attention as a solid state host of quantum emitters. However, hBN emitters reported to date lack the properties needed for their d…
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…