A Breit-Pauli distorted wave implementation for AUTOSTRUCTURE
We describe the Breit-Pauli distorted wave (BPDW) approach for the electron-impact excitation of atomic ions that we have implemented within the AUTOSTRUCTURE code. Program summary Program title: AUTOSTRUCTURE Catalogue identifier: AEIV_v1_0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AEIV_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 130 987 No. of bytes in distributed program, including test data, etc.: 1 031 584 Distribution format: tar.gz Programming language: Fortran 77/95 Computer: General Operating system: Unix Has the code been vectorized or parallelized?: Yes, a parallel version, with MPI directives, is included in the distribution. RAM: From several kbytes to several Gbytes Classification: 2, 2.4 Nature of problem: Collision strengths for the electron-impact excitation of atomic ions are calculated using a Breit-Pauli distorted wave approach with the optional inclusion of two-body non-fine-structure and fine-structure interactions. Solution method: General multi-configuration Breit-Pauli atomic structure. A jK-coupling partial wave expansion of the collision problem. Slater state angular algebra. Various model potential non-relativistic or kappa-averaged relativistic radial orbital solutions the continuum distorted wave orbitals are not required to be orthogonal to the bound. Additional comments: Documentation is provided in the distribution file along with the test-case. Running time: From a few seconds to a few hours. (C) 2011 Elsevier B.V. All rights reserved.
electron-impact excitation atomic collisions distorted wave method