Nonlocal and nonadiabatic Pauli potential for time-dependent orbital-free density functional theory

Time-dependent orbital-free density functional theory (TD-OFDFT) is an efficient ab-initio method for calculating the electronic dynamics of large systems. In comparison to standard TD-DFT, it computes only a single state regardless system size, but requires additional time-dependent Pauli potential term. We propose nonadiabatic and nonlocal whose main ingredients are particle current densities. Our calculations optical spectra metallic semiconductor clusters indicate that TD-OFDFT performs accurately systems semiquantitatively semiconductors. This work opens door wide applicability nonequilibrium electron electron-nuclear materials.