An FDTD-TDDFT method for the EM/QM co-simulation of nanowire systems in the Lorenz gauge
Real-time time-dependent density functional theory (TDDFT) constitutes a cornerstone in the modeling of nanoscale materials. Although numerous application areas have already benefited from the technique, investigation of both forward and backward coupling in matter systems subject to a vectorial electromagnetic (EM) perturbation remains challenging. To address this problem, this work proposes a modeling framework leveraging […]