Large-Scale Accurate Structure Calculations for Open-Shell Atoms and Ions

摘要: Recent progress and developments in the field of atomic structure theory are reviewed. To obtain reliable results also for open-shell atoms ions, large-scale computations required typically carried out framework configuration interaction or multiconfiguration Hartree–Dirac–Fock methods which help include relativistic, correlation rearrangement effects electron density consistently. The success such computations, however, depends not only on shell but, to a large extent, capabilities flexible use tools available. With RATIP package we now provide program environment supports, apart from systematic investigations open s- p-shell configurations, case studies d- f-shell elements will be put special emphasize this contribution. But, although, I need refer most details original literature, future prospects calculations complex structures summarized below.