Density functional theory (DFT) has not been applied on a large scale to time-dependent problems and problems involving excited states. Atomic and molecular collisions involving both these types of phenomena remain outside the purview of DFT. An amalgamation of quantum fluid dynamics (QFD) with DFT considerably broadens the range of applicability of traditional (ground-state) DFT. Ion-atom collisions have been studied by jointly using DFT and QFD.
Volume 135, 2023
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