Published February 23, 2023
| Version v23.0
Software
Open
DIRAC23
Creators
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Bast, R.
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Gomes, A. S. P.
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Saue, T.
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Visscher, L.
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Jensen, H. J. Aa.
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Aucar, I. A.
- Bakken, V.
- Chibueze, C.
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Creutzberg, J.
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Dyall, K. G.
- Dubillard, S.
- Ekström, U.
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Eliav, E.
- Enevoldsen, T.
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Faßhauer, E.
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Fleig, T.
- Fossgaard, O.
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Halbert, L.
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Hedegård, E. D.
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Helgaker, T.
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Helmich-Paris, B.
- Henriksson, J.
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van Horn, M.
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Iliaš, M.
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Jacob, Ch. R.
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Knecht, S.
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Komorovský, S.
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Kullie, O.
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Lærdahl, J. K.
- Larsen, C. V.
- Lee, Y. S.
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List, N. H.
- Nataraj, H. S.
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Nayak, M. K.
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Norman, P.
- Nyvang, A.
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Olejniczak, G.
- Olsen, J.
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Olsen, J. M. H.
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Papadopoulos, A.
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Park, Y. C.
- Pedersen, J. K.
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Pernpointner, M.
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Pototschnig, J. V.
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Di Remigio Eikås, R.
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Repiský, M.
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Ruud, K.
- Sałek, P.
- Schimmelpfennig, B.
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Senjean, B.
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Shee, A.
- Sikkema, J.
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Sunaga, A.
- Thyssen, J.
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van Stralen, J.
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Vidal, M. L.
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Villaume, S.
- Visser, O.
- Winther, T.
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Yamamoto, S.
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Yuan, X.
Description
DIRAC: Program for Atomic and Molecular Direct Iterative Relativistic All-electron Calculations.
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
Files
Files
(100.9 MB)
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md5:d93002243ad2b77c6b68c9f3bf75b770
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