The timestep of the finite-difference time-domain method (FDTD) is constrained by the stability limit known as the Courant–Friedrichs–Lewy (CFL) condition. This limit can make FDTD simulations quite ...

We investigated the electronic structure and charge transport properties of single-molecule junctions of a series of acene-type molecules (i.e., pyrazine, quinoxaline, and phenazine) with different ...