Published March 13, 2025
| Version 25
Software
Open
DIRAC25
Creators
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Saue, Trond1, 2
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Visscher, Lucas3
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Jensen, Hans Jørgen Aagaard4
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Bast, Radovan
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Severo Pereira Gomes, Andre2, 5
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Aucar, Ignacio Agustín6, 7
- Bakken, Vebjoern8
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Brandejs, Jan
- Chibueze, Chima3
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Creutzberg, Joel
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Dyall, Kenneth G
- Dubillard, Sebastien
- Ekström, Ulf
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Eliav, Ephraim9
- Enevoldsen, Thomas4
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Fasshauer, Elke
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Fleig, Timo
- Fossgaard, Olav10
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Gaul, Konstantin Joachim11
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Halbert, Loïc5
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Hedegård, Erik Donovan4
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Helgaker, Trygve8
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Helmich-Paris, Benjamin12
- Henriksson, Johan13
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van Horn, Martin14
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Ilias, Miroslav
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Jacob, Christoph15
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Knecht, Stefan16
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Komorovsky, Stanislav17
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Kullie, Ossama18
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Laerdahl, Jon Kristen8, 19
- Larsen, Christoffer V
- Lee, Yoon Sup20
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List, Nanna Holmgaard21
- Nataraj, Huliyar S
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Nayak, Malaya Kumar22
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Norman, Patrick21
- Nyvang, Andreas23
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Olejniczak, Malgorzata24
- Olsen, Jeppe
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Olsen, Jógvan Magnus Haugaard25, 26
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Papadopoulos, Anastasios12
- Park, Young Choon20
- Pedersen, Jesper K
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Pernpointner, Markus
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Pototschnig, Johann
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Di Remigio Eikås, Roberto27
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Repisky, Michal28, 29
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R. Rocha, Carlos M.30
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Ruud, Kenneth10
- Salek, Pawel
- Schimmelpfennig, Bernd
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SENJEAN, Bruno31, 32, 3, 33
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Shee, Avijit34, 35
- Sikkema, Jetze
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Sunaga, Ayaki
- Thorvaldsen, Andreas J
- Thyssen, Jørn
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van Stralen, Joost
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López Vidal, Marta36
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villaume, sebastien37
- Visser, Olivier
- Winther, Toke
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Yamamoto, Shigeyoshi
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Yuan, Xiang5
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1.
Université Toulouse III - Paul Sabatier
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2.
Centre National de la Recherche Scientifique
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3.
Vrije Universiteit Amsterdam
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4.
University of Southern Denmark
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5.
Université Lille Nord de France
- 6. CONICET
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7.
National University of the Northeast
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8.
University of Oslo
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9.
Tel Aviv University
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10.
University of Tromsø
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11.
Helmholtz Institute Mainz
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12.
Max-Planck-Institut für Kohlenforschung
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13.
Linköping University
- 14. Université Toulouse III-Paul Sabatier
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15.
Technische Universität Braunschweig
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16.
ETH Zürich
- 17. Slovak Academy of Sciences
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18.
University of Kassel
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19.
Oslo University Hospital
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20.
Korea Advanced Institute of Science and Technology
- 21. KTH Royal Institute of Technology
- 22. Bhabha Atomic Research Centre
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23.
Aarhus University
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24.
University of Warsaw
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25.
Technical University of Denmark
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26.
UiT The Arctic University of Norway
- 27. Algorithmiq Ltd
- 28. Department of Physical and Theoretical Chemistry, Comenius University
- 29. Hylleraas Centre for Quantum Molecular Sciences
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30.
Netherlands eScience Center
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31.
Institut Charles Gerhardt Montpellier
- 32. Universiteit Leiden Instituut-Lorentz
- 33. Emmanuel Fromager
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34.
University of Michigan–Ann Arbor
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35.
University of California, Berkeley
- 36. Cardiff University
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37.
European Centre for Medium-Range Weather Forecasts
Description
Project website: https://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.
Notes
Please join our mailing list: https://groups.google.com/g/dirac-users
Files
Files
(105.9 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:ce16ec8fe66babfad62aadf300642c73
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105.9 MB | Download |
Additional details
Funding
- European Commission
- HAMP-vQED – Highly Accurate Molecular Properties using variational Quantum Electrodynamics 101019907
- Agence Nationale de la Recherche
- CompRIXS – Computation of Resonant Inelastic X-ray Scattering in the condensed phase across the whole periodic table ANR-19-CE29-0019
- Agence Nationale de la Recherche
- Simulating moleCulaR nonlinEar spEctrosCopies for Heavy elemEntS – SCREECHES ANR-24-CE29-0904
Software
- Repository URL
- https://gitlab.com/dirac/dirac
- Programming language
- Fortran Free Form, Fortran, C, C++, Python, CMake
- Development Status
- Active