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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★ 1 cited
Many-body perturbation theory with hybrid density functional theory starting points accelerated by adaptively compressed exchange
Victor Wen-zhe Yu, Marco Govoni
We report on the use of the adaptively compressed exchange (ACE) operator to accelerate many-body perturbation theory (MBPT) calculations, including GW and the Bethe Salpet…