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20212026
most citedExcited state properties of point defects in semiconductors and insulators investigated with time-dependent density functional theory

45 citations · 172 across the 19 of their papers we have counts for

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Showing 2024Show all

6 papers · 1 filter

cond-mat.mtrl-sci2024★ 7 cited

GPU-Accelerated Solution of the Bethe-Salpeter Equation for Large and Heterogeneous Systems

Victor Wen-zhe Yu, Yu Jin, Giulia Galli +1

We present a massively parallel, GPU-accelerated implementation of the Bethe-Salpeter equation (BSE) for the calculation of the vertical excitation energies (VEEs) and optical abso…

cond-mat.mtrl-sci2024

An NV- center in magnesium oxide as a spin qubit for hybrid quantum technologies

Vrindaa Somjit, Joel Davidsson, Yu Jin +1

Recent predictions suggest that oxides, such as MgO and CaO, could serve as hosts of spin defects with long coherence times and thus be promising materials for quantum applications…

physics.chem-ph2024

Particle-Particle Random Phase Approximation for Predicting Correlated Excited States of Point Defects

Jiachen Li, Yu Jin, Jincheng Yu +2

The particle-particle random phase approximation (ppRPA) within the hole-hole channel was recently proposed as an efficient tool for computing excitation energies of point defects…

cond-mat.mtrl-sci2024★ 28 cited

Self-Trapped Excitons in Metal-Halide Perovskites Investigated by Time-Dependent Density Functional Theory

Yu Jin, Mariami Rusishvili, Marco Govoni +1

We present a theoretical study of the formation of self-trapped excitons (STEs) and the associated broadband emission in metal-halide perovskites CsSnBr and CsAgInCl$_6…

quant-ph2024★ 12 cited

Temperature dependent spin-phonon coupling of boron-vacancy centers in hexagonal boron nitride

Zhongyuan Liu, Ruotian Gong, Benchen Huang +9

The negatively charged boron-vacancy center () in hexagonal boron nitride (hBN) has recently emerged as a highly promising quantum sensor. Compared to th…

physics.chem-ph2024★ 15 cited

Accurate Excitation Energies of Point Defects from Fast Particle-Particle Random Approximation Calculations

Jiachen Li, Yu Jin, Jincheng Yu +2

We present an efficient particle-particle random phase approximation (ppRPA) approach that predicts accurate excitation energies of point defects, including the nitrogen-vacancy (N…