82 citations · 206 across the 17 of their papers we have counts for
6 papers · 1 filter
Structured Quasi-Newton Methods for Optimization with Orthogonality Constraints
Jiang Hu, Bo Jiang, Lin Lin +2
In this paper, we study structured quasi-Newton methods for optimization problems with orthogonality constraints. Note that the Riemannian Hessian of the objective function require…
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,…
A multiscale neural network based on hierarchical matrices
Yuwei Fan, Lin Lin, Lexing Ying +1
In this work we introduce a new multiscale artificial neural network based on the structure of -matrices. This network generalizes the latter to the nonlinear case by…
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…
Quantum Dynamics with the Parallel Transport Gauge
Dong An, Lin Lin
The dynamics of a closed quantum system is often studied with the direct evolution of the Schrodinger equation. In this paper, we propose that the gauge choice (i.e. degrees of fre…
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…