2 papers
cond-mat.mtrl-sci2026
First-principles electron-phonon scattering in real-time TDDFT
Zhengwei Nie, Subhojit Pal, Marti Lüders +4
Real-time time-dependent density functional theory provides a first-principles description of coherent electron dynamics in laser-driven solids, but its unitary formulation cannot…
cond-mat.mtrl-sci2024
Precision benchmarks for solids: G0W0 calculations with different basis sets
Maryam Azizi, Francisco A. Delesma, Matteo Giantomassi +10
The GW approximation within many-body perturbation theory is the state of the art for computing quasiparticle energies in solids. Typically, Kohn-Sham (KS) eigenvalues and eigenfun…