1 citations · 1 across the 2 of their papers we have counts for
Showing physics.comp-phShow all
3 papers · 1 filter
physics.comp-ph2020★ 1 cited
Stochastic Constrained Extended System Dynamics for Solving Charge Equilibration Models
Songchen Tan, Itai Leven, Dong An +2
We present a new stochastic extended Lagrangian solution to charge equilibration that eliminates self-consistent field (SCF) calculations, eliminating the computational bottleneck…
physics.comp-ph2020
Split representation of adaptively compressed polarizability operator
Dong An, Lin Lin, Ze Xu
The polarizability operator plays a central role in density functional perturbation theory and other perturbative treatment of first principle electronic structure theories. The co…
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…