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citation [2025/03/04 12:16] – agustin_aucarcitation [2026/07/24 17:25] (current) – [DIRAC19] agustin_aucar
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 ---- ----
 +
 +==== DIRAC26.1 ====
 +
 +DIRAC, a relativistic ab initio electronic structure program,
 +Release DIRAC26.1 (2026),
 +written by A. S. P. Gomes, T. Saue, L. Visscher, H. J. Aa. Jensen and R. Bast,
 +with contributions from 
 +M. Abe, I. A. Aucar, J. J. Aucar, V. Bakken, J. Brandejs, C. Chibueze, J. Creutzberg, K. G. Dyall, 
 +S. Dubillard, U. Ekström, E. Eliav, T. Enevoldsen, G. Fabbro, E. Faßhauer, T. Fleig, O. Fossgaard, 
 +K. J. Gaul, L. Halbert, E. D. Hedegård, T. Helgaker,  B. Helmich-Paris, J. Henriksson, M. van Horn, 
 +M. Iliaš, S. Iwamuro, Ch. R. Jacob, S. Knecht, S. Komorovský, O. Kullie, J. K. Lærdahl, C. V. Larsen, 
 +E. D. Laersson, M. Le, Y. S. Lee, T. Lejeune, N. H. List, Y. Masuda, H. S. Nataraj, M. K. Nayak, 
 +K. Noda, P. Norman, A. Nyvang, M. Olejniczak, J. Olsen, J. M. H. Olsen, A. Papadopoulos, Y. C. Park, 
 +J. K. Pedersen, M. Pernpointner, J. V. Pototschnig, R. Di Remigio Eikas, M. Repisky, Carlos M. R. Rocha,
 +K. Ruud, P. Sałek, B. Schimmelpfennig, B. Senjean, A. Shee, J. Sikkema, A. Sunaga,  A. J. Thorvaldsen, 
 +J. Thyssen, J. van Stralen, M. L. Vidal, S. Villaume, O. Visser, S. K. Sorensen, T. Winther, S. Yamamoto and X. Yuan (available at https://doi.org/10.5281/zenodo.19610239, see also https://www.diracprogram.org).
 +
 +
 +bibtex entry:
 +  @Misc{DIRAC261,
 +        note = "{DIRAC}, a relativistic ab initio electronic structure program,
 +        Release {DIRAC26.1} (2026),
 +        written by A.~S.~P.~Gomes, T.~Saue, L.~Visscher, H.~J.~{\relax Aa}.~Jensen, R.~Bast,
 +        with contributions from M.~Abe, I.~A.~Aucar, J.~J.~Aucar, V.~Bakken, J.~Brandejs, C.~Chibueze, 
 +        J.~Creutzberg, K.~G.~Dyall, S.~Dubillard, U.~Ekstr{\"o}m, E.~Eliav, T.~Enevoldsen, G.~Fabbro,
 +        E.~Fa{\ss}hauer, T.~Fleig, O.~Fossgaard, K.~G.~Gaul, L.~Halbert, E.~D.~Hedeg{\aa}rd, T.~Helgaker,
 +        B.~Helmich--Paris, J.~Henriksson, M.~van~Horn, M.~Ilia{\v{s}}, S.~Iwamuro, Ch.~R.~Jacob,
 +        S.~Knecht, S.~Komorovsk{\'y}, O.~Kullie, J.~K.~L{\ae}rdahl, C.~V.~Larsen, E.~D.~Laersson,
 +        M.~Le, Y.~S.~Lee, T.~Lejeune, N.~H.~List, Y.~Masuda, H.~S.~Nataraj, M.~K.~Nayak, K.~Noda,
 +        P.~Norman, A.~Nyvang, G.~Olejniczak, J.~Olsen, J.~M.~H.~Olsen, A.~Papadopoulos, Y.~C.~Park,
 +        J.~K.~Pedersen, M.~Pernpointner, J.~V.~Pototschnig, R.~di~Remigio Eikas, M.~Repisky,
 +        C. M. R. Rocha, K.~Ruud, P.~Sa{\l}ek, B.~Schimmelpfennig, B.~Senjean, A.~Shee, J.~Sikkema,
 +        A.~Sunaga, A.~J.~Thorvaldsen, J.~Thyssen, J.~van~Stralen, M.~L.~Vidal, S.~Villaume, O.~Visser,
 +        S.~K.~Sorensen, T.~Winther, S.~Yamamoto and X.~Yuan
 +        (available at \url{https://doi.org/10.5281/zenodo.19610239}, 
 +        see also  \url{https://www.diracprogram.org})"}
 +
 +--------
 +
 +==== DIRAC26 ====
 +
 +DIRAC, a relativistic ab initio electronic structure program,
 +Release DIRAC26 (2026),
 +written by A. S. P. Gomes, T. Saue, L. Visscher, H. J. Aa. Jensen and R. Bast,
 +with contributions from 
 +M. Abe, I. A. Aucar, J. J. Aucar, V. Bakken, J. Brandejs, C. Chibueze, J. Creutzberg, K. G. Dyall, 
 +S. Dubillard, U. Ekström, E. Eliav, T. Enevoldsen, G. Fabbro, E. Faßhauer, T. Fleig, O. Fossgaard, 
 +K. J. Gaul, L. Halbert, E. D. Hedegård, T. Helgaker,  B. Helmich-Paris, J. Henriksson, M. van Horn, 
 +M. Iliaš, S. Iwamuro, Ch. R. Jacob, S. Knecht, S. Komorovský, O. Kullie, J. K. Lærdahl, C. V. Larsen, 
 +E. D. Laersson, M. Le, Y. S. Lee, T. Lejeune, N. H. List, Y. Masuda, H. S. Nataraj, M. K. Nayak, 
 +K. Noda, P. Norman, A. Nyvang, M. Olejniczak, J. Olsen, J. M. H. Olsen, A. Papadopoulos, Y. C. Park, 
 +J. K. Pedersen, M. Pernpointner, J. V. Pototschnig, R. Di Remigio Eikas, M. Repisky, Carlos M. R. Rocha,
 +K. Ruud, P. Sałek, B. Schimmelpfennig, B. Senjean, A. Shee, J. Sikkema, A. Sunaga,  A. J. Thorvaldsen, 
 +J. Thyssen, J. van Stralen, M. L. Vidal, S. Villaume, O. Visser, S. K. Sorensen, T. Winther, S. Yamamoto and X. Yuan (available at https://doi.org/10.5281/zenodo.18662050, see also https://www.diracprogram.org).
 +
 +
 +bibtex entry:
 +  @Misc{DIRAC26,
 +        note = "{DIRAC}, a relativistic ab initio electronic structure program,
 +        Release {DIRAC26} (2026),
 +        written by A.~S.~P.~Gomes, T.~Saue, L.~Visscher, H.~J.~{\relax Aa}.~Jensen, R.~Bast,
 +        with contributions from M.~Abe, I.~A.~Aucar, J.~J.~Aucar, V.~Bakken, J.~Brandejs, C.~Chibueze, 
 +        J.~Creutzberg, K.~G.~Dyall, S.~Dubillard, U.~Ekstr{\"o}m, E.~Eliav, T.~Enevoldsen, G.~Fabbro,
 +        E.~Fa{\ss}hauer, T.~Fleig, O.~Fossgaard, K.~G.~Gaul, L.~Halbert, E.~D.~Hedeg{\aa}rd, T.~Helgaker,
 +        B.~Helmich--Paris, J.~Henriksson, M.~van~Horn, M.~Ilia{\v{s}}, S.~Iwamuro, Ch.~R.~Jacob, S.~Knecht,
 +        S.~Komorovsk{\'y}, O.~Kullie, J.~K.~L{\ae}rdahl, C.~V.~Larsen, E.~D.~Laersson, M.~Le, Y.~S.~Lee,
 +        T.~Lejeune, N.~H.~List, Y.~Masuda, H.~S.~Nataraj, M.~K.~Nayak, K.~Noda, P.~Norman,
 +        A.~Nyvang, G.~Olejniczak, J.~Olsen, J.~M.~H.~Olsen, A.~Papadopoulos, Y.~C.~Park, J.~K.~Pedersen,
 +        M.~Pernpointner, J.~V.~Pototschnig, R.~di~Remigio Eikas, M.~Repisky, C. M. R. Rocha, K.~Ruud,
 +        P.~Sa{\l}ek, B.~Schimmelpfennig, B.~Senjean, A.~Shee, J.~Sikkema, A.~Sunaga, A.~J.~Thorvaldsen,
 +        J.~Thyssen, J.~van~Stralen, M.~L.~Vidal, S.~Villaume, O.~Visser, S.~K.~Sorensen, T.~Winther, S.~Yamamoto and 
 +        X.~Yuan
 +        (available at \url{https://doi.org/10.5281/zenodo.18662050}, 
 +        see also  \url{https://www.diracprogram.org})"}
 +
 +--------
  
 ==== DIRAC25 ==== ==== DIRAC25 ====
Line 76: Line 152:
         B.~Senjean, A.~Shee, J.~Sikkema, A.~Sunaga, A.~J.~Thorvaldsen, J.~Thyssen,          B.~Senjean, A.~Shee, J.~Sikkema, A.~Sunaga, A.~J.~Thorvaldsen, J.~Thyssen, 
         J.~van~Stralen, M.~L.~Vidal, S.~Villaume, O.~Visser, T.~Winther, S.~Yamamoto and X.~Yuan         J.~van~Stralen, M.~L.~Vidal, S.~Villaume, O.~Visser, T.~Winther, S.~Yamamoto and X.~Yuan
-        (available at \url{https://doi.org/110.5281/zenodo.10680560}, +        (available at \url{https://doi.org/10.5281/zenodo.10680560}, 
         see also  \url{https://www.diracprogram.org})"}         see also  \url{https://www.diracprogram.org})"}
  
Line 131: Line 207:
 J. V. Pototschnig, R. Di Remigio, M. Repisky, K. Ruud, P. Sałek, B. Schimmelpfennig, B. Senjean, A. Shee, J. Sikkema, A. Sunaga,  J. V. Pototschnig, R. Di Remigio, M. Repisky, K. Ruud, P. Sałek, B. Schimmelpfennig, B. Senjean, A. Shee, J. Sikkema, A. Sunaga, 
 A. J. Thorvaldsen, J. Thyssen, J. van Stralen, M. L. Vidal, S. Villaume, O. Visser, A. J. Thorvaldsen, J. Thyssen, J. van Stralen, M. L. Vidal, S. Villaume, O. Visser,
-T. Winther, S. Yamamoto and X. Yuan (available at http://dx.doi.org/10.5281/zenodo.6010450, see also http://www.diracprogram.org).+T. Winther, S. Yamamoto and X. Yuan (available at http://doi.org/10.5281/zenodo.6010450, see also http://www.diracprogram.org).
  
  
Line 148: Line 224:
         B.~Senjean, A.~Shee, J.~Sikkema, A.~Sunaga, A.~J.~Thorvaldsen, J.~Thyssen,          B.~Senjean, A.~Shee, J.~Sikkema, A.~Sunaga, A.~J.~Thorvaldsen, J.~Thyssen, 
         J.~van~Stralen, M.~L.~Vidal, S.~Villaume, O.~Visser, T.~Winther, S.~Yamamoto and X.~Yuan         J.~van~Stralen, M.~L.~Vidal, S.~Villaume, O.~Visser, T.~Winther, S.~Yamamoto and X.~Yuan
-        (available at \url{http://dx.doi.org/10.5281/zenodo.6010450}, +        (available at \url{http://doi.org/10.5281/zenodo.6010450}, 
         see also  \url{http://www.diracprogram.org})"}         see also  \url{http://www.diracprogram.org})"}
  
Line 167: Line 243:
 J. V. Pototschnig, R. Di Remigio, M. Repisky, K. Ruud, P. Sałek, B. Schimmelpfennig, B. Senjean, A. Shee, J. Sikkema, A. Sunaga,  J. V. Pototschnig, R. Di Remigio, M. Repisky, K. Ruud, P. Sałek, B. Schimmelpfennig, B. Senjean, A. Shee, J. Sikkema, A. Sunaga, 
 A. J. Thorvaldsen, J. Thyssen, J. van Stralen, M. L. Vidal, S. Villaume, O. Visser, A. J. Thorvaldsen, J. Thyssen, J. van Stralen, M. L. Vidal, S. Villaume, O. Visser,
-T. Winther, and S. Yamamoto (available at http://dx.doi.org/10.5281/zenodo.4836496, see also http://www.diracprogram.org).+T. Winther, and S. Yamamoto (available at http://doi.org/10.5281/zenodo.4836496, see also http://www.diracprogram.org).
  
  
Line 184: Line 260:
         B.~Senjean, A.~Shee, J.~Sikkema, A.~Sunaga, A.~J.~Thorvaldsen, J.~Thyssen,          B.~Senjean, A.~Shee, J.~Sikkema, A.~Sunaga, A.~J.~Thorvaldsen, J.~Thyssen, 
         J.~van~Stralen, M.~L.~Vidal, S.~Villaume, O.~Visser, T.~Winther, and S.~Yamamoto          J.~van~Stralen, M.~L.~Vidal, S.~Villaume, O.~Visser, T.~Winther, and S.~Yamamoto 
-        (available at \url{http://dx.doi.org/10.5281/zenodo.4836496}, +        (available at \url{http://doi.org/10.5281/zenodo.4836496}, 
         see also  \url{http://www.diracprogram.org})"}         see also  \url{http://www.diracprogram.org})"}
  
Line 203: Line 279:
 R. Di Remigio, K. Ruud, P. Sałek, B. Schimmelpfennig, B. Senjean, A. Shee, J. Sikkema, R. Di Remigio, K. Ruud, P. Sałek, B. Schimmelpfennig, B. Senjean, A. Shee, J. Sikkema,
 A. J. Thorvaldsen, J. Thyssen, J. van Stralen, M. L. Vidal, S. Villaume, O. Visser, A. J. Thorvaldsen, J. Thyssen, J. van Stralen, M. L. Vidal, S. Villaume, O. Visser,
-T. Winther, and S. Yamamoto (available at http://dx.doi.org/10.5281/zenodo.3572669, see also http://www.diracprogram.org).+T. Winther, and S. Yamamoto (available at http://doi.org/10.5281/zenodo.3572669, see also http://www.diracprogram.org).
  
  
Line 219: Line 295:
         B.~Schimmelpfennig, B.~Senjean, A.~Shee, J.~Sikkema, A.~J.~Thorvaldsen, J.~Thyssen,          B.~Schimmelpfennig, B.~Senjean, A.~Shee, J.~Sikkema, A.~J.~Thorvaldsen, J.~Thyssen, 
         J.~van~Stralen, M.~L.~Vidal, S.~Villaume, O.~Visser, T.~Winther, and S.~Yamamoto          J.~van~Stralen, M.~L.~Vidal, S.~Villaume, O.~Visser, T.~Winther, and S.~Yamamoto 
-        (available at \url{http://dx.doi.org/10.5281/zenodo.3572669}, +        (available at \url{http://doi.org/10.5281/zenodo.3572669}, 
         see also  \url{http://www.diracprogram.org})"}         see also  \url{http://www.diracprogram.org})"}
  
citation.1741090614.txt.gz · Last modified: 2025/03/04 12:16 by agustin_aucar
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