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Citation guide

All published results obtained with OpenRSP are expected to cite the following references:

  • Andreas J. Thorvaldsen, Kenneth Ruud, Kasper Kristensen, Poul Jørgensen and Sonia Coriani, J. Chem. Phys. 129, 214108 (2008).
  • Magnus Ringholm, Dan Jonsson and Kenneth Ruud, J. Comput. Chem. 35, 622-633 (2014).

Please also cite the code itself (if you are not using the latest version, please replace "1.0.0" and the DOI by the corresponding version and DOI which you can find at https://zenodo.org/record/1491928):

  • Radovan Bast, Daniel H. Friese, Bin Gao, Dan J. Jonsson, Magnus Ringholm, Simen S. Reine, Kenneth Ruud, OpenRSP: open-ended response theory (version 1.0.0), Zenodo, https://doi.org/10.5281/zenodo.1491927.

If the use of OpenRSP involved the calculation of single residues of response properties, citation of the following reference is expected in addition to the references listed above:

  • Daniel H. Friese, Maarten T. P. Beerepoot, Magnus Ringholm and Kenneth Ruud, J. Chem. Theory Comput. 11, 1129-1144 (2015).

Please also note that host programs into which OpenRSP is incorporated may have their own citation guidelines or requirements to be observed if such programs are used.