December 13, 2018 Software Open Access

DIRAC18

Saue, T.; Visscher, L.; Jensen, H. J. Aa.; Bast, R.; Bakken, V.; Dyall, K. G.; Dubillard, S.; Ekström, U.; Eliav, E.; Enevoldsen, T.; Faßhauer, E.; Fleig, T.; Fossgaard, O.; Gomes, A. S. P.; Hedegård, E. D.; Helgaker, T.; Henriksson, J.; Iliaš, M.; Jacob, Ch. R.; Knecht, S.; Komorovský, S.; Kullie, O.; Lærdahl, J. K.; Larsen, C. V.; Lee, Y. S.; Nataraj, H. S.; Nayak, M. K.; Norman, P.; Olejniczak, G.; Olsen, J.; Olsen, J. M. H.; Park, Y. C.; Pedersen, J. K.; Pernpointner, M.; Di Remigio, R.; Ruud, K.; Sałek, P.; Schimmelpfennig, B.; Shee, A.; Sikkema, J.; Thorvaldsen, A. J.; Thyssen, J.; van Stralen, J.; Villaume, S.; Visser, O.; Winther, T.; Yamamoto, S.

DIRAC: Program for Atomic and Molecular Direct Iterative Relativistic All-electron Calculations.

Project website: http://diracprogram.org

The DIRAC program computes molecular properties using relativistic quantum chemical methods. It is named after P.A.M. Dirac, the father of relativistic electronic structure theory.