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physics.atom-ph2017★ 56 cited
How is the derivative discontinuity related to steps in the exact Kohn-Sham potential?
M. J. P. Hodgson, E. Kraisler, E. K. U. Gross
The reliability of density-functional calculations hinges on accurately approximating the unknown exchange-correlation (xc) potential. Common (semi-)local xc approximations lack th…
physics.atom-ph2016
A single-electron approach for many-electron dynamics in high-order harmonic generation
Axel Schild, E. K. U. Gross
We present a novel ab-initio single-electron approach to correlated electron dynamics in strong laser fields. By writing the electronic wavefunction as a product of a marginal one-…