All-electron RT-TDDFT with Exact Exchange based on Numeric Atom-centered Orbitals for Condensed Matter
Real-time time-dependent density functional theory (RT-TDDFT) has become a widely used first-principles method for studying excited-state and nonequilibrium electron dynamics. Hybrid exchange-correlation (XC) functionals, which incorporate a fraction of nonlocal exact exchange, are particularly important for accurately...