GPU-Accelerated Solution of the Bethe-Salpeter Equation for Large and
Heterogeneous Systems
GPU-Accelerated Solution of the Bethe-Salpeter Equation for Large and
Heterogeneous Systems
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 absorption spectra of condensed and molecular systems, starting from single-particle eigenvalues and eigenvectors obtained with density functional theory. The algorithms adopted here enable one to circumvent the …