RT-TDDFTB is presented as a tractable quantum method for studying plasmons in metal nanoparticles up to thousands of atoms, with honest documentation of its failures for alkali metals, nanogap tunneling, and long-time relaxation.
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Density Functional Tight-Binding Enables Tractable Studies of Quantum Plasmonics
RT-TDDFTB is presented as a tractable quantum method for studying plasmons in metal nanoparticles up to thousands of atoms, with honest documentation of its failures for alkali metals, nanogap tunneling, and long-time relaxation.