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citation [2021/05/26 11:15]
tsaue
citation [2022/02/01 15:36]
aspg
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 We recommend citing the employed version (see below) as well as the general paper: 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 ​+Trond Saue, Radovan Bast, Andre Severo Pereira Gomes, Hans Jørgen Aagaard Jensen, Lucas Visscher, Ignacio ​Agustín ​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 ​
  
 ---- ----
 +
 +==== DIRAC22 ====
 +
 +DIRAC, a relativistic ab initio electronic structure program,
 +Release DIRAC22 (2022),
 +written by T. Saue, L. Visscher, H. J. Aa. Jensen, R. Bast, and A. S. P. Gomes, ​
 +with contributions from I. A. Aucar, V. Bakken, C. Chibueze, J. Creutzberg, 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. van Horn, M. Iliaš,
 +Ch. R. Jacob, S. Knecht, S. Komorovský,​ O. Kullie, J. K. Lærdahl,
 +C. V. Larsen, Y. S. Lee, N. H. List, H. S. Nataraj, M. K. Nayak, P. Norman,
 +G. Olejniczak, J. Olsen, J. M. H. Olsen, A. Papadopoulos,​ Y. C. Park, J. K. Pedersen, M. Pernpointner,​
 +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,
 +T. Winther, S. Yamamoto and X. Yuan (available at http://​dx.doi.org/​YY.YYYY/​zenodo.XXXXXXXX,​ see also http://​www.diracprogram.org).
 +
 +
 +bibtex entry:
 +  @Misc{DIRAC22,​
 +        note = "​{DIRAC},​ a relativistic ab initio electronic structure program,
 +        Release {DIRAC22} (2022),
 +        written by T.~Saue, L.~Visscher,​ H.~J.~{\relax Aa}.~Jensen,​ R.~Bast and A.~S.~P.~Gomes, ​  
 +        with contributions from I.~A.~Aucar,​ V.~Bakken, C.~Chibueze,​ J.~Creutzberg,​ 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,​ T.~Helgaker,​ B.~Helmich--Paris,​ J.~Henriksson,​ M.~van~Horn, ​
 +        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, N.~H.~List, H.~S.~Nataraj,​ M.~K.~Nayak,​ P.~Norman, G.~Olejniczak, ​
 +        J.~Olsen, J.~M.~H.~Olsen,​ A.~Papadopoulos,​ Y.~C.~Park, J.~K.~Pedersen,​ M.~Pernpointner,​
 +        J.~V.~Pototschnig,​ R.~di~Remigio,​ M.~Repisky, 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, T.~Winther, S.~Yamamoto and X.~Yuan
 +        (available at \url{http://​dx.doi.org/​YY.YYYY/​zenodo.XXXXXXXXXX}, ​
 +        see also  \url{http://​www.diracprogram.org})"​}
 +
 +--------
  
 ==== DIRAC21 ==== ==== DIRAC21 ====
Line 18: Line 54:
 C. V. Larsen, Y. S. Lee, N. H. List, H. S. Nataraj, M. K. Nayak, P. Norman, C. V. Larsen, Y. S. Lee, N. H. List, H. S. Nataraj, M. K. Nayak, P. Norman,
 G. Olejniczak, J. Olsen, J. M. H. Olsen, A. Papadopoulos,​ Y. C. Park, J. K. Pedersen, M. Pernpointner,​ G. Olejniczak, J. Olsen, J. M. H. Olsen, A. Papadopoulos,​ Y. C. Park, J. K. Pedersen, M. Pernpointner,​
-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.3572669, see also http://​www.diracprogram.org).+T. Winther, and S. Yamamoto (available at http://​dx.doi.org/​10.5281/​zenodo.4836496, see also http://​www.diracprogram.org).
  
  
Line 30: Line 66:
         with contributions from I.~A.~Aucar,​ V.~Bakken, K.~G.~Dyall,​ S.~Dubillard,​ U.~Ekstr{\"​o}m, ​         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.~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}},  ​+        E.~D.~Hedeg{\aa}rd, T.~Helgaker, B.~Helmich--Paris, J.~Henriksson,​ M.~Ilia{\v{s}},  ​
         Ch.~R.~Jacob,​ S.~Knecht, S.~Komorovsk{\'​y},​ O.~Kullie, J.~K.~L{\ae}rdahl,​ C.~V.~Larsen, ​         Ch.~R.~Jacob,​ S.~Knecht, S.~Komorovsk{\'​y},​ O.~Kullie, J.~K.~L{\ae}rdahl,​ C.~V.~Larsen, ​
-        Y.~S.~Lee, N.~H.~List, H.~S.~Nataraj,​ M.~K.~Nayak,​ P.~Norman, G.~Olejniczak,​ J.~Olsen, J.~M.~H.~Olsen,​ A.~Papadopoulos, ​+        Y.~S.~Lee, N.~H.~List, H.~S.~Nataraj,​ M.~K.~Nayak,​ P.~Norman, G.~Olejniczak, ​ 
-        ​Y.~C.~Park, J.~K.~Pedersen,​ M.~Pernpointner,​ R.~di~Remigio,​ M.~Repisky, K.~Ruud, P.~Sa{\l}ek, ​ +        ​J.~Olsen, J.~M.~H.~Olsen,​ A.~Papadopoulos,​ Y.~C.~Park, J.~K.~Pedersen,​ M.~Pernpointner
-        ​B.~Schimmelpfennig,​ B.~Senjean, A.~Shee, J.~Sikkema, A.~Sunaga, A.~J.~Thorvaldsen,​ J.~Thyssen, ​+        J.~V.~Pototschnig, R.~di~Remigio,​ M.~Repisky, 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, 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://​dx.doi.org/​10.5281/​zenodo.4836496}, 
         see also  \url{http://​www.diracprogram.org})"​}         see also  \url{http://​www.diracprogram.org})"​}
  
citation.txt · Last modified: 2022/02/08 15:10 by tsaue