Statistics – Computation
Scientific paper
May 2002
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2002aps..dmp.d6002f&link_type=abstract
American Physical Society, 2002 Division of Atomic, Molecular and Optical , abstract #D6.002
Statistics
Computation
Scientific paper
The Fe-peak element are of prime importance in technological and astrophysical applications. For example, low states of ionization of Fe, Ni and Co have been identified in many astronomical objects. We report on the first large-scale, ab initio, relativistic calculations for the iron group ions. These calculation are being caried out using Breit Pauli R-matrix method. As the first major case, we will present results for transition probabilities and photoionization cross sections of the low lying levels of Fe II. A new close coupling expansion with the `target' ion Fe III has been obtained including the 34 first levels dominated by the configurations 3d^6, and 3d^54s. Six correlation configurations have been included (3d^54d, 3d^44s^2, 3d^44p^2, 3p^43d^8, 3p^63d^8 and 3s3p^63d^7). In addition to these, we experiment with different sets of bound channel short-range correlation functions of the (N+1)-electron (e + Fe III arrow Fe II) system to optimise over all all important correlation effects subject to the intensive computational constraints.
Franck Delahaye
Nahar Sultana
Pradhan Anil
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