The DIRAC code for relativistic molecular calculations.

@article{Saue2020TheDC,
  title={The DIRAC code for relativistic molecular calculations.},
  author={T. Saue and Radovan Bast and A. S. Gomes and H. Jensen and L. Visscher and I. A. Aucar and Roberto Di Remigio and K. Dyall and E. Eliav and E. Fasshauer and T. Fleig and Lo{\"i}c Halbert and E. Hedeg{\aa}rd and Benjamin Helmich-Paris and M. Ilia{\vs} and C. R. Jacob and S. Knecht and J. K. Laerdahl and M. L. Vidal and M. K. Nayak and M. Olejniczak and J{\'o}gvan Magnus Haugaard Olsen and M. Pernpointner and Bruno Senjean and Avijit Shee and A. Sunaga and Joost N P van Stralen},
  journal={The Journal of chemical physics},
  year={2020},
  volume={152 20},
  pages={
          204104
        }
}
DIRAC is a freely distributed general-purpose program system for one-, two-, and four-component relativistic molecular calculations at the level of Hartree-Fock, Kohn-Sham (including range-separated theory), multiconfigurational self-consistent-field, multireference configuration interaction, electron propagator, and various flavors of coupled cluster theory. At the self-consistent-field level, a highly original scheme, based on quaternion algebra, is implemented for the treatment of both… Expand
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References

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