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We show that the energetics and lifetimes of resonances of finite systems under an external electric field can be captured by Kohn--Sham density functional theory (DFT) within the formalism of uniform complex scaling. Properties of resonances are calculated self-consistently in terms of complex densities, potentials and wavefunctions using adapted versions of the known algorithms from DFT. We illustrate this new formalism by calculating ionization rates using the complex-scaled local density approximation and exact exchange. We consider a variety of atoms (H, He, Li and Be) as well as the hydrogen molecule. Extensions are briefly discussed.
5 pages, 5 figures. This document is the unedited Author's version of a Submitted Work that was subsequently accepted for publication in J.Phys.Chem.Lett., copyright (c) American Chemical Society after peer review. To access the final edited and published work see http://pubs.acs.org/doi/abs/10.1021/jz401110h
Chemical Physics (physics.chem-ph), Condensed Matter - Materials Science, Tunneling, Lasers, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, Open quantum systems, Complex scaling, Resonances, Physics - Chemical Physics, Excitations, Spectroscopy
Chemical Physics (physics.chem-ph), Condensed Matter - Materials Science, Tunneling, Lasers, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, Open quantum systems, Complex scaling, Resonances, Physics - Chemical Physics, Excitations, Spectroscopy
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