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Published June 10, 2019 | Version 2.0.4
Software Open

UKRMol+: UKRMol-in

Creators

  • 1. Charles University Prague
  • 2. The Open University
  • 3. MBI
  • 4. DESY
  • 5. UCL

Description

Inner region programs for the reengineered UK computational implementation of the R-matrix method for the treatment of electron and positron scattering from molecules (BTO/GTO continuum). Generates transition moments for the study of photon-induced processes.

For a complete list of the authors who contributed to this software see https://www.ukamor.com/  and and a file in the release tarball (after release 2.0.4).

This version corrects a bug in CONGEN related to the phases of the wavefunctions that would have affected very few results (cross sections, etc.).

Notes

Software development supported by EPSRC, CCPQ, UK-AMOR and others.

Files

Files (7.5 MB)

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md5:5ea832c2d6768c7fd2b39ee87b7bf694
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