Published April 5, 2019
| Version 2.0.1
Software
Open
UKRMol+: UKRMol-out
Creators
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
Files
Files
(719.0 kB)
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