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arXiv · 1207.5693

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

David Hochstuhl·Michael Bonitz
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Abstract

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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David Hochstuhl, Michael Bonitz. 2012-07-24. Time-dependent restricted active space Configuration Interaction for the photoionization of many-electron atoms. https://doi.org/10.1103/physreva.86.053424

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