Differences

This shows you the differences between two versions of the page.

--- citation [2020/10/14 11:53] – tsaue
+++ citation [2025/03/04 12:16] (current) – agustin_aucar
@@ Line 1: / Line 1: @@
-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 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
+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
+----
+==== DIRAC25 ====
+DIRAC, a relativistic ab initio electronic structure program,
+Release DIRAC25 (2025),
+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, J. Brandejs, C. Chibueze, J. Creutzberg, K. G. Dyall, S. Dubillard,
+U. Ekström, E. Eliav, T. Enevoldsen, 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,
+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, 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, 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,
+T. Winther, S. Yamamoto and X. Yuan (available at https://doi.org/10.5281/zenodo.14833106, see also https://www.diracprogram.org).
+bibtex entry:
+  @Misc{DIRAC25,
+        note = "{DIRAC}, a relativistic ab initio electronic structure program,
+        Release {DIRAC25} (2025),
+        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, J.~Brandejs, 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, K.~G.~Gaul, 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,
+        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, 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, T.~Winther, S.~Yamamoto and
+        X.~Yuan
+        (available at \url{https://doi.org/10.5281/zenodo.14833106},
+        see also  \url{https://www.diracprogram.org})"}
+--------
+==== DIRAC24 ====
+DIRAC, a relativistic ab initio electronic structure program,
+Release DIRAC24 (2024),
+written by L. Visscher, H. J. Aa. Jensen, R. Bast, A. S. P. Gomes and T. Saue,
+with contributions from I. A. Aucar, V. Bakken, J. Brandejs, 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, 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, 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 https://doi.org/10.5281/zenodo.10680560, see also https://www.diracprogram.org).
+bibtex entry:
+  @Misc{DIRAC24,
+        note = "{DIRAC}, a relativistic ab initio electronic structure program,
+        Release {DIRAC24} (2024),
+        written by L.~Visscher, H.~J.~{\relax Aa}.~Jensen, R.~Bast, A.~S.~P.~Gomes and T.~Saue,
+        with contributions from I.~A.~Aucar, V.~Bakken, J.~Brandejs, 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, 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, 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{https://doi.org/110.5281/zenodo.10680560},
+        see also  \url{https://www.diracprogram.org})"}
+--------
+==== DIRAC23 ====
+DIRAC, a relativistic ab initio electronic structure program,
+Release DIRAC23 (2023),
+written by R. Bast, A. S. P. Gomes, T. Saue and L. Visscher and H. J. Aa. Jensen,
+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, 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, 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 https://doi.org/10.5281/zenodo.7670749, see also https://www.diracprogram.org).
+bibtex entry:
+  @Misc{DIRAC23,
+        note = "{DIRAC}, a relativistic ab initio electronic structure program,
+        Release {DIRAC23} (2023),
+        written by R.~Bast, A.~S.~P.~Gomes, T.~Saue and L.~Visscher and H.~J.~{\relax Aa}.~Jensen,
+        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, 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, 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{https://doi.org/10.5281/zenodo.7670749},
+        see also  \url{https://www.diracprogram.org})"}
+--------
+==== DIRAC22 ====
+DIRAC, a relativistic ab initio electronic structure program,
+Release DIRAC22 (2022),
+written by H. J. Aa. Jensen, R. Bast, A. S. P. Gomes, T. Saue and L. Visscher,
+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/10.5281/zenodo.6010450, see also http://www.diracprogram.org).
+bibtex entry:
+  @Misc{DIRAC22,
+        note = "{DIRAC}, a relativistic ab initio electronic structure program,
+        Release {DIRAC22} (2022),
+        written by H.~J.~{\relax Aa}.~Jensen, R.~Bast, A.~S.~P.~Gomes, T.~Saue and L.~Visscher,
+        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/10.5281/zenodo.6010450},
+        see also  \url{http://www.diracprogram.org})"}
+--------
+==== DIRAC21 ====
+DIRAC, a relativistic ab initio electronic structure program,
+Release DIRAC21 (2021),
+written by R. Bast, A. S. P. Gomes, T. Saue, L. Visscher, and H. J. Aa. Jensen,
+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, 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, and S. Yamamoto (available at http://dx.doi.org/10.5281/zenodo.4836496, see also http://www.diracprogram.org).
+bibtex entry:
+  @Misc{DIRAC21,
+        note = "{DIRAC}, a relativistic ab initio electronic structure program,
+        Release {DIRAC21} (2021),
+        written by R.~Bast, A.~S.~P.~Gomes, T.~Saue, L.~Visscher, and H.~J.~{\relax Aa}.~Jensen,
+        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, 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,
+        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, and S.~Yamamoto
+        (available at \url{http://dx.doi.org/10.5281/zenodo.4836496},
+        see also  \url{http://www.diracprogram.org})"}
 ----