Program title: IONIS
Catalogue identifier: AEKK_v1_0
Program summary URL:
Program obtainable from: CPC Program Library, Queen?s University, Belfast, N. Ireland
Licensing provisions: Standard CPC licence,
No. of lines in distributed program, including test data, etc.: 1149
No. of bytes in distributed program, including test data, etc.: 12?77
Distribution format: tar.gz
Programming language: Fortran 95
Computer: Workstations
Operating system: GNU/Linux, Unix
Classification: 2.2, 2.5
Nature of problem: Photoionization intensities for atoms.
Solution method: The code applies the output of the multiconfiguration Dirac¨CFock codes Grasp92 [1] or Grasp2K [2], to compute approximate photoionization intensities. The intensity is computed within the one-electron transition approximation and by assuming that the sum of the single-particle ionization probabilities is the same for all final ionic states.
Restrictions: The program gives nonzero intensities for those transitions where only one electron is removed from the initial configuration(s). Shake-type many-electron transitions are not computed. The ionized shell must be closed in the initial state.
Running time: Few seconds for a large problem with a few thousand configurations.
References: