82 citations · 206 across the 17 of their papers we have counts for
Showing 2018 · physics.comp-phShow all
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physics.comp-ph2018
Fast real-time time-dependent hybrid functional calculations with the parallel transport gauge and the adaptively compressed exchange formulation
Weile Jia, Lin Lin
We present a new method to accelerate real time-time dependent density functional theory (rt-TDDFT) calculations with hybrid exchange-correlation functionals. For large basis set,…
physics.comp-ph2018
Fast real-time time-dependent density functional theory calculations with the parallel transport gauge
Weile Jia, Dong An, Lin-Wang Wang +1
Real-time time-dependent density functional theory (RT-TDDFT) is known to be hindered by the very small time step (attosecond or smaller) needed in the numerical simulation due to…
physics.comp-ph2018★ 2 cited
Accelerating Optical Absorption Spectra and Exciton Energy Computation for Nanosystems via Interpolative Separable Density Fitting
Wei Hu, Meiyue Shao, Andrea Cepellotti +5
We present an efficient way to solve the Bethe-Salpeter equation (BSE), a model for the computation of absorption spectra in molecules and solids that includes electron-hole excita…