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The international collaboration on Computation Atomic Structure

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Welcome!

To meet the demands for atomic data in the Computational Atomic Structure (CompAS) group has been formed. The collaboration is involved in developing state of the art computer codes for atomic calculations in the non-relativistic scheme with relativistic corrections in the Breit-Pauli approximation ATSP2K as well as in the fully relativistic scheme GRASP2018. The codes rely on multiconfiguration methods and the wave function for an atomic state is expanded in configuration state functions (CSFs).

Moreover, the RATIP program supports the calculation of atomic properties for open-shell atoms with one electron in the continuum, including transition probabilities, Auger parameters as well as a variety of excitation, ionization and recombination amplitudes and cross sections.

In addition to the code development itself, the group includes members with expertise in the methods and is constantly developing computational techniques for the evaluation of atomic properties of the highest quality.

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For inquires regarding this homepage, contact J. Grumer, Uppsala University, at jon.grumer[at]physics.uu.se