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Published April 5, 2019 | Version 2.0.1
Software Open

UKRMol+: UKRMol-out

Description

Outer 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). Also calculates photoionization cross sections.

For a complete list of the authors who contributed to this software see https://www.ukamor.com/ and a file in the release tarball (after release 2.0.1).

Features of this version:

  • generates input for molecular RMT calculations
  • includes program DIPELM to calculate photoionization cross sections

Notes

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

Files

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