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