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citation [2017/12/11 09:18]
tsaue
citation [2020/10/14 13:53] (current)
tsaue
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-We work long days and late nights to improve the DIRAC code which we distribute free of charge. We therefore ask you to acknowledge any use of the DIRAC program suite that results in published material ​using one of the following citations (depending on the employed version ​of DIRAC).+We work long days and late nights to improve the DIRAC code which we distribute free of charge. We therefore ask you to acknowledge any use of the DIRAC program suite that results in published material
 +We recommend citing ​the employed version ​(see below) as well as the general paper: 
 + 
 +Trond Saue, Radovan Bast, Andre Severo Pereira Gomes, Hans Jørgen Aagaard Jensen, Lucas Visscher, Ignacio Agustın Aucar, Roberto Di Remigio, Kenneth G. Dyall, Ephraim Eliav, Elke Faßhauer, Timo Fleig, Loıc Halbert, Erik Donovan Hedegård, Benjamin Helmich-Paris,​ Miroslav Iliaš, Christoph R. Jacob, Stefan Knecht, Jon K Laerdahl, Marta L. Vidal, Malaya K Nayak, Małgorzata Olejniczak, Jógvan Magnus Haugaard Olsen, Markus Pernpointner,​ Bruno Senjean, Avijit Shee, Ayaki Sunaga, Joost N. P. van Stralen, [[https://​doi.org/​10.1063/​5.0004844|J. Chem. Phys.]] 152 (2020) 204104  
 + 
 +---- 
 + 
 +==== DIRAC19 ==== 
 + 
 +DIRAC, a relativistic ab initio electronic structure program, 
 +Release DIRAC19 (2019)
 +written by AS. P. Gomes, T. Saue, L. Visscher, H. J. Aa. Jensen, and R. Bast, 
 +with contributions from I. A. Aucar, V. Bakken, K. G. Dyall, S. Dubillard,​ 
 +U. Ekström, E. Eliav, T. Enevoldsen, E. Faßhauer, T. Fleig, 
 +O. Fossgaard, L. Halbert, E. D. Hedegård,  
 +T. Helgaker, ​ B. Helmich-Paris,​ J. Henriksson, M. Iliaš, 
 +Ch. R. Jacob, S. Knecht, S. Komorovský,​ O. Kullie, J. K. Lærdahl, 
 +C. V. Larsen, Y. S. Lee, H. S. Nataraj, M. K. Nayak, P. Norman, 
 +G. Olejniczak, J. Olsen, J. M. H. Olsen, Y. C. Park, J. K. Pedersen, M. Pernpointner,​ 
 +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, 
 +T. Winther, and S. Yamamoto (available at http://​dx.doi.org/​10.5281/​zenodo.3572669,​ see also http://​www.diracprogram.org). 
 + 
 + 
 +bibtex entry: 
 +  @Misc{DIRAC19,​ 
 +        note = "​{DIRAC},​ a relativistic ab initio electronic structure program, 
 +        Release {DIRAC19} (2019), 
 +        written by A.~S.~P.~Gomes,​ T.~Saue, L.~Visscher,​ H.~J.~{\relax Aa}.~Jensen,​ and R.~Bast,  
 +        with contributions from I.~A.~Aucar,​ V.~Bakken, K.~G.~Dyall,​ S.~Dubillard,​ U.~Ekstr{\"​o}m,​  
 +        E.~Eliav, T.~Enevoldsen,​ E.~Fa{\ss}hauer,​ T.~Fleig, O.~Fossgaard,​ L.~Halbert,  
 +        E.~D.~Hedeg{\aa}rd,​ B.~Heimlich--Paris,​ T.~Helgaker,​ J.~Henriksson,​ M.~Ilia{\v{s}}, ​  
 +        Ch.~R.~Jacob,​ S.~Knecht, S.~Komorovsk{\'​y},​ O.~Kullie, J.~K.~L{\ae}rdahl,​ C.~V.~Larsen,​  
 +        Y.~S.~Lee, H.~S.~Nataraj,​ M.~K.~Nayak,​ P.~Norman, G.~Olejniczak,​ J.~Olsen, J.~M.~H.~Olsen,​ 
 +        Y.~C.~Park, J.~K.~Pedersen,​ M.~Pernpointner,​ R.~di~Remigio,​ K.~Ruud, P.~Sa{\l}ek,​  
 +        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  
 +        (available at \url{http://​dx.doi.org/​10.5281/​zenodo.3572669},​  
 +        see also  \url{http://​www.diracprogram.org})"​} 
 + 
 +---- 
 + 
 + 
 +==== DIRAC18 ==== 
 + 
 +DIRAC, a relativistic ab initio electronic structure program, 
 +Release DIRAC18 (2018), 
 +written by T. Saue, L. Visscher, H. J. Aa. Jensen, and R. Bast, 
 +with contributions from V. Bakken, K. G. Dyall, S. Dubillard,​ 
 +U. Ekström, E. Eliav, T. Enevoldsen, E. Faßhauer, T. Fleig, 
 +O. Fossgaard, A. S. P. Gomes, E. D. Hedegård, T. Helgaker, J. Henriksson, M. Iliaš, 
 +Ch. R. Jacob, S. Knecht, S. Komorovský,​ O. Kullie, J. K. Lærdahl, 
 +C. V. Larsen, Y. S. Lee, H. S. Nataraj, M. K. Nayak, P. Norman, 
 +G. Olejniczak, J. Olsen, J. M. H. Olsen, Y. C. Park, J. K. Pedersen, M. Pernpointner,​ 
 +R. Di Remigio, K. Ruud, P. Sałek, B. Schimmelpfennig,​ A. Shee, J. Sikkema, 
 +A. J. Thorvaldsen,​ J. Thyssen, J. van Stralen, S. Villaume, O. Visser, 
 +T. Winther, and S. Yamamoto (available at https://​doi.org/​10.5281/​zenodo.2253986,​ see also http://​www.diracprogram.org). 
 + 
 + 
 +bibtex entry: 
 +  @Misc{DIRAC18,​ 
 +        note = "​{DIRAC},​ a relativistic ab initio electronic structure program, 
 +        Release {DIRAC18} (2018), 
 +        written by T.~Saue, L.~Visscher,​ H.~J.~{\relax Aa}.~Jensen,​ and R.~Bast,  
 +        with contributions from V.~Bakken, K.~G.~Dyall,​ S.~Dubillard,​ U.~Ekstr{\"​o}m,​  
 +        E.~Eliav, T.~Enevoldsen,​ E.~Fa{\ss}hauer,​ T.~Fleig, O.~Fossgaard,​ A.~S.~P.~Gomes,​  
 +        E.~D.~Hedeg{\aa}rd,​ T.~Helgaker,​ J.~Henriksson,​ M.~Ilia{\v{s}},​ Ch.~R.~Jacob,​ S.~Knecht,  
 +        S.~Komorovsk{\'​y},​ O.~Kullie, J.~K.~L{\ae}rdahl,​ C.~V.~Larsen,​ Y.~S.~Lee,  
 +        H.~S.~Nataraj,​ M.~K.~Nayak,​ P.~Norman, G.~Olejniczak,​ J.~Olsen, J.~M.~H.~Olsen,​ Y.~C.~Park, ​   
 +        J.~K.~Pedersen,​ M.~Pernpointner,​ R.~di~Remigio,​ K.~Ruud, P.~Sa{\l}ek,​ B.~Schimmelpfennig,​  
 +        A.~Shee, J.~Sikkema, A.~J.~Thorvaldsen,​ J.~Thyssen, J.~van~Stralen,​ S.~Villaume,​ O.~Visser,  
 +        T.~Winther, and S.~Yamamoto (available at \url{https://​doi.org/​10.5281/​zenodo.2253986},​  
 +        see also  \url{http://​www.diracprogram.org})"​}
  
 ---- ----
Line 7: Line 79:
 DIRAC, a relativistic ab initio electronic structure program, DIRAC, a relativistic ab initio electronic structure program,
 Release DIRAC17 (2017), Release DIRAC17 (2017),
-written by H. J. Aa. Jensen, R. Bast, T. Saue, and L. Visscher,+written by L. Visscher, ​H. J. Aa. Jensen, R. Bast, and T. Saue,
 with contributions from V. Bakken, K. G. Dyall, S. Dubillard, with contributions from V. Bakken, K. G. Dyall, S. Dubillard,
 U. Ekström, E. Eliav, T. Enevoldsen, E. Faßhauer, T. Fleig, U. Ekström, E. Eliav, T. Enevoldsen, E. Faßhauer, T. Fleig,
-O. Fossgaard, A. S. P. Gomes, T. Helgaker, J. Henriksson, M. Iliaš,+O. Fossgaard, A. S. P. Gomes, E. D. Hedegård, T. Helgaker, J. Henriksson, M. Iliaš,
 Ch. R. Jacob, S. Knecht, S. Komorovský,​ O. Kullie, J. K. Lærdahl, Ch. R. Jacob, S. Knecht, S. Komorovský,​ O. Kullie, J. K. Lærdahl,
 C. V. Larsen, Y. S. Lee, H. S. Nataraj, M. K. Nayak, P. Norman, C. V. Larsen, Y. S. Lee, H. S. Nataraj, M. K. Nayak, P. Norman,
-G. Olejniczak, J. Olsen, Y. C. Park, J. K. Pedersen, M. Pernpointner,​+G. Olejniczak, J. Olsen, J. M. H. Olsen, Y. C. Park, J. K. Pedersen, M. Pernpointner,​
 R. Di Remigio, K. Ruud, P. Sałek, B. Schimmelpfennig,​ A. Shee, J. Sikkema, R. Di Remigio, K. Ruud, P. Sałek, B. Schimmelpfennig,​ A. Shee, J. Sikkema,
 A. J. Thorvaldsen,​ J. Thyssen, J. van Stralen, S. Villaume, O. Visser, A. J. Thorvaldsen,​ J. Thyssen, J. van Stralen, S. Villaume, O. Visser,
Line 23: Line 95:
         note = "​{DIRAC},​ a relativistic ab initio electronic structure program,         note = "​{DIRAC},​ a relativistic ab initio electronic structure program,
         Release {DIRAC17} (2017),         Release {DIRAC17} (2017),
-        written by H.~J.~{\relax Aa}.~Jensen,​ R.~Bast, T.~Saue, and L.~Visscher,+        written by L.~Visscher, ​H.~J.~{\relax Aa}.~Jensen,​ R.~Bast, ​and T.~Saue,
         with contributions from V.~Bakken, K.~G.~Dyall,​ S.~Dubillard,​ U.~Ekstr{\"​o}m, ​         with contributions from V.~Bakken, K.~G.~Dyall,​ S.~Dubillard,​ U.~Ekstr{\"​o}m, ​
         E.~Eliav, T.~Enevoldsen,​ E.~Fa{\ss}hauer,​ T.~Fleig, O.~Fossgaard,​ A.~S.~P.~Gomes, ​         E.~Eliav, T.~Enevoldsen,​ E.~Fa{\ss}hauer,​ T.~Fleig, O.~Fossgaard,​ A.~S.~P.~Gomes, ​
-        T.~Helgaker,​ J.~Henriksson,​ M.~Ilia{\v{s}},​ Ch.~R.~Jacob,​ S.~Knecht, ​+        ​E.~D.~Hedeg{\aa}rd, ​T.~Helgaker,​ J.~Henriksson,​ M.~Ilia{\v{s}},​ Ch.~R.~Jacob,​ S.~Knecht, ​
         S.~Komorovsk{\'​y},​ O.~Kullie, J.~K.~L{\ae}rdahl,​ C.~V.~Larsen,​ Y.~S.~Lee, ​         S.~Komorovsk{\'​y},​ O.~Kullie, J.~K.~L{\ae}rdahl,​ C.~V.~Larsen,​ Y.~S.~Lee, ​
-        H.~S.~Nataraj,​ M.~K.~Nayak,​ P.~Norman, G.~Olejniczak,​ J.~Olsen, Y.~C.~Park, J.~K.~Pedersen, ​ +        H.~S.~Nataraj,​ M.~K.~Nayak,​ P.~Norman, G.~Olejniczak,​ J.~Olsen, J.~M.~H.~Olsen, Y.~C.~Park, ​   
-        ​M.~Pernpointner,​ R.~di~Remigio,​ K.~Ruud, P.~Sa{\l}ek,​ B.~Schimmelpfennig,​ A.~Shee, J.~Sikkema, ​ +        ​J.~K.~Pedersen,​ M.~Pernpointner,​ R.~di~Remigio,​ K.~Ruud, P.~Sa{\l}ek,​ B.~Schimmelpfennig, ​ 
-        ​A.~J.~Thorvaldsen,​ J.~Thyssen, J.~van~Stralen,​ S.~Villaume,​ O.~Visser, T.~Winther, +        ​A.~Shee, J.~Sikkema, A.~J.~Thorvaldsen,​ J.~Thyssen, J.~van~Stralen,​ S.~Villaume,​ O.~Visser, ​ 
-        ​and S.~Yamamoto (see \url{http://​www.diracprogram.org})"​}+        ​T.~Winther, and S.~Yamamoto (see \url{http://​www.diracprogram.org})"​}
  
 ---- ----
citation.1512980298.txt.gz · Last modified: 2017/12/11 09:18 by tsaue