Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] aeiv_v1_0.tar.gz(1006 Kbytes)|
|Manuscript Title: A Breit-Pauli distorted wave implementation for AUTOSTRUCTURE|
|Authors: N. R. Badnell|
|Program title: AUTOSTRUCTURE|
|Catalogue identifier: AEIV_v1_0|
Distribution format: tar.gz
|Journal reference: Comput. Phys. Commun. 182(2011)1528|
|Programming language: Fortran 77/95.|
|Operating system: Unix.|
|Has the code been vectorised or parallelized?: Yes, a parallel version, with MPI directives, is included in the distribution.|
|RAM: From several kbytes to several Gbytes|
|Keywords: Atomic collisions, electron-impact excitation, distorted wave method.|
|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.
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.
Documentation is provided in the distribution file along with the test-case.
From a few seconds to a few hours
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