Tag: Time domain
Method speeds up TDDFT calculations for XRTS analysis
What the study found The study found a broadly applicable method for improving the efficiency of time-dependent density functional theory (TDDFT) calculations used to model X-ray Thomson scattering (XRTS) and related dynamic material properties. The authors report speed-ups of up to an order of magnitude without introducing any significant bias. Why the authors say this…
Causality-based algorithm extends nonequilibrium Green’s function time simulations
Algorithm exploiting causality for efficient nonequilibrium Green’s function calculations via quantics tensor trains, enabling extended simulations of quench dynamics in symmetry-broken phases.
