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arxiv: 1207.5693 · v3 · pith:ZAS6XMTInew · submitted 2012-07-24 · ⚛️ physics.atom-ph · physics.comp-ph· quant-ph

Time-dependent restricted active space Configuration Interaction for the photoionization of many-electron atoms

classification ⚛️ physics.atom-ph physics.comp-phquant-ph
keywords time-dependentmethodatomsconfigurationinteractionphotoionizationactiveapproximation
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We introduce the time-dependent restricted active space Configuration Interaction method to solve the time-dependent Schr\"odinger equation for many-electron atoms, and particularly apply it to the treatment of photoionization processes in atoms. The method is presented in a very general formulation and incorporates a wide range of commonly used approximation schemes, like the single-active electron approximation, time-dependent Configuration Interaction with single-excitations, or the time-dependent R-matrix method. We proof the applicability of the method by calculating the photoionization cross sections of Helium and Beryllium, as well as the X-ray--IR pump-probe ionization in Beryllium

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