Description
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.
Notes
Please join our mailing list: https://groups.google.com/g/dirac-users
| Date made available | 20 Feb 2026 |
|---|---|
| Publisher | Zenodo |
| Date of data production | Feb 2025 - Feb 2026 |
Keywords
- Molecular and chemical physics
- Simulation software
- Quantum chemistry
Datasets
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DIRAC22
Jensen, H. J. A. (Creator), Bast, R. (Creator), Gomes, A. S. P. (Creator), Saue, T. (Creator), Visscher, L. (Creator), Aucar, I. A. (Creator), Bakken, V. (Creator), Chibueze, C. (Creator), Creutzberg, J. (Creator), Dyall, K. G. (Creator), Dubillard, S. (Creator), Ekström, U. (Creator), Eliav, E. (Creator), Enevoldsen, T. (Creator), Faßhauer, E. (Creator), Fleig, T. (Creator), Fossgaard, O. (Creator), Halbert, L. (Creator), Hedegård, E. D. (Creator), Helgaker, T. (Creator), Helmich-Paris, B. (Creator), Henriksson, J. (Creator), van Horn, M. (Creator), Iliaš, M. (Creator), Jacob, C. R. (Creator), Knecht, S. (Creator), Komorovský, S. (Creator), Kullie, O. (Creator), Lærdahl, J. K. (Creator), Larsen, C. V. (Creator), Lee, Y. S. (Creator), List, N. H. (Creator), Nataraj, H. S. (Creator), Nayak, M. K. (Creator), Norman, P. (Creator), Olejniczak, G. (Creator), Olsen, J. M. H. (Creator), Olsen, J. M. H. (Creator), Papadopoulos, A. (Creator), Park, Y. C. (Creator), Pedersen, J. K. (Creator), Pernpointner, M. (Creator), Pototschnig, J. V. (Creator), Di Remigio, R. (Creator), Repiský, M. (Creator), Ruud, K. (Creator), Sałek, P. (Creator), Schimmelpfennig, B. (Creator), Senjean, B. (Creator), Shee, A. (Creator), Sikkema, J. (Creator), Sunaga, A. (Creator), Thorvaldsen, A. J. (Creator), Thyssen, J. (Creator), van Stralen, J. (Creator), Vidal, M. L. (Creator), Villaume, S. (Creator), Visser, O. (Creator), Winther, T. (Creator), Yamamoto, S. (Creator) & Yuan, X. (Creator), Zenodo, 8 Feb 2022
Dataset / Software: Dataset
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