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Table of Contents
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).
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})"}
DIRAC17
DIRAC, a relativistic ab initio electronic structure program, Release DIRAC17 (2017), written by L. Visscher, H. J. Aa. Jensen, R. Bast, and T. Saue, 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 (see http://www.diracprogram.org).
bibtex entry:
@Misc{DIRAC17,
note = "{DIRAC}, a relativistic ab initio electronic structure program,
Release {DIRAC17} (2017),
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,
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 (see \url{http://www.diracprogram.org})"}
DIRAC16
DIRAC, a relativistic ab initio electronic structure program, Release DIRAC16 (2016), written by H. J. Aa. Jensen, R. Bast, T. Saue, and L. Visscher, 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, 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, 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 (see http://www.diracprogram.org).
bibtex entry:
@Misc{DIRAC16,
note = "{DIRAC}, a relativistic ab initio electronic structure program,
Release {DIRAC16} (2016),
written by H.~J.~{\relax Aa}.~Jensen, R.~Bast, T.~Saue, and L.~Visscher,
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,
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, 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 (see \url{http://www.diracprogram.org})"}
DIRAC15
DIRAC, a relativistic ab initio electronic structure program, Release DIRAC15 (2015), written by H. J. Aa. Jensen, R. Bast, T. Saue, and L. Visscher, with contributions from V. Bakken, K. G. Dyall, S. Dubillard, U. Ekstroem, E. Eliav, T. Enevoldsen, E. Fasshauer, T. Fleig, O. Fossgaard, A. S. P. Gomes, T. Helgaker, J. Henriksson, M. Ilias, Ch. R. Jacob, S. Knecht, S. Komorovsky, O. Kullie, J. K. Laerdahl, 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, R. Di Remigio, K. Ruud, P. Salek, B. Schimmelpfennig, J. Sikkema, A. J. Thorvaldsen, J. Thyssen, J. van Stralen, S. Villaume, O. Visser, T. Winther, and S. Yamamoto (see http://www.diracprogram.org).
bibtex entry:
@Misc{DIRAC15,
note = "DIRAC, a relativistic ab initio electronic structure program,
Release DIRAC15 (2015),
written by R. Bast, T. Saue, L. Visscher, and H. J. Aa. Jensen,
with contributions from V. Bakken, K. G. Dyall, S. Dubillard,
U. Ekstroem, E. Eliav, T. Enevoldsen, E. Fasshauer, T. Fleig,
O. Fossgaard, A. S. P. Gomes, T. Helgaker, J. Henriksson, M. Ilias,
Ch. R. Jacob, S. Knecht, S. Komorovsky, O. Kullie, J. K. Laerdahl,
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,
R. Di Remigio, K. Ruud, P. Salek, B. Schimmelpfennig, J. Sikkema,
A. J. Thorvaldsen, J. Thyssen, J. van Stralen, S. Villaume, O. Visser,
T. Winther, and S. Yamamoto (see http://www.diracprogram.org)."}
DIRAC14
DIRAC, a relativistic ab initio electronic structure program, Release DIRAC14 (2014), 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, T. Helgaker, J. Henriksson, M. Iliaš, Ch. R. Jacob, S. Knecht, S. Komorovský, O. Kullie, C. V. Larsen, J. K. Lærdahl, Y. S. Lee, H. S. Nataraj, P. Norman, G. Olejniczak, J. Olsen, Y. C. Park, J. K. Pedersen, M. Pernpointner, R. di Remigio, K. Ruud, P. Sałek, B. Schimmelpfennig, J. Sikkema, A. J. Thorvaldsen, J. Thyssen, J. van Stralen, S. Villaume, O. Visser, T. Winther, and S. Yamamoto (see http://www.diracprogram.org).
bibtex entry:
@Misc{DIRAC14,
note = "{DIRAC}, a relativistic ab initio electronic structure program,
Release {DIRAC14} (2014),
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, T.~Helgaker, J.~K.~L{\ae}rdahl, Y.~S.~Lee, J.~Henriksson,
M.~Ilia{\v{s}}, Ch.~R.~Jacob, S.~Knecht, S.~Komorovsk{\'y}, O.~Kullie, C.~V.~Larsen, H.~S.~Nataraj,
P.~Norman, G.~Olejniczak, J.~Olsen, Y.~C.~Park, J.~K.~Pedersen, M.~Pernpointner, R.~di~Remigio,
K.~Ruud, P.~Sa{\l}ek, B.~Schimmelpfennig, J.~Sikkema, A.~J.~Thorvaldsen,
J.~Thyssen, J.~van~Stralen, S.~Villaume, O.~Visser, T.~Winther,
and S.~Yamamoto (see \url{http://www.diracprogram.org})"}
DIRAC13
DIRAC, a relativistic ab initio electronic structure program, Release DIRAC13 (2013), written by L. Visscher, H. J. Aa. Jensen, R. Bast, and T. Saue, 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, T. Helgaker, J. K. Lærdahl, Y. S. Lee, J. Henriksson, M. Iliaš, Ch. R. Jacob, S. Knecht, S. Komorovský, O. Kullie, C. V. Larsen, H. S. Nataraj, P. Norman, G. Olejniczak, J. Olsen, Y. C. Park, J. K. Pedersen, M. Pernpointner, K. Ruud, P. Sałek, B. Schimmelpfennig, J. Sikkema, A. J. Thorvaldsen, J. Thyssen, J. van Stralen, S. Villaume, O. Visser, T. Winther, and S. Yamamoto (see http://www.diracprogram.org).
bibtex entry:
@Misc{DIRAC13,
note = "{DIRAC}, a relativistic ab initio electronic structure program,
Release {DIRAC13} (2013),
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, E.~Eliav, T.~Enevoldsen, E.~Fa{\ss}hauer, T.~Fleig, O.~Fossgaard,
A.~S.~P.~Gomes, T.~Helgaker, J.~K.~L{\ae}rdahl, Y.~S.~Lee, J.~Henriksson,
M.~Ilia{\v{s}}, Ch.~R.~Jacob, S.~Knecht, S.~Komorovsk{\'y}, O.~Kullie, C.~V.~Larsen, H.~S.~Nataraj,
P.~Norman, G.~Olejniczak, J.~Olsen, Y.~C.~Park, J.~K.~Pedersen, M.~Pernpointner,
K.~Ruud, P.~Sa{\l}ek, B.~Schimmelpfennig, J.~Sikkema, A.~J.~Thorvaldsen,
J.~Thyssen, J.~van~Stralen, S.~Villaume, O.~Visser, T.~Winther,
and S.~Yamamoto
(see http://www.diracprogram.org)"
}
DIRAC12
DIRAC, a relativistic ab initio electronic structure program, Release DIRAC12 (2012), written by H. J. Aa. Jensen, R. Bast, T. Saue, and L. Visscher, with contributions from V. Bakken, K. G. Dyall, S. Dubillard, U. Ekström, E. Eliav, T. Enevoldsen, T. Fleig, O. Fossgaard, A. S. P. Gomes, T. Helgaker, J. K. Lærdahl, Y. S. Lee, J. Henriksson, M. Iliaš, Ch. R. Jacob, S. Knecht, S. Komorovský, O. Kullie, C. V. Larsen, H. S. Nataraj, P. Norman, G. Olejniczak, J. Olsen, Y. C. Park, J. K. Pedersen, M. Pernpointner, K. Ruud, P. Sałek, B. Schimmelpfennig, J. Sikkema, A. J. Thorvaldsen, J. Thyssen, J. van Stralen, S. Villaume, O. Visser, T. Winther, and S. Yamamoto (see http://www.diracprogram.org).
bibtex entry:
@Misc{DIRAC12,
note = "{DIRAC}, a relativistic ab initio electronic structure program,
Release {DIRAC12} (2012),
written by H.~J.~{\relax Aa}.~Jensen, R.~Bast, T.~Saue, and L.~Visscher,
with contributions from V.~Bakken, K.~G.~Dyall, S.~Dubillard,
U.~Ekstr{\"o}m, E.~Eliav, T.~Enevoldsen, T.~Fleig, O.~Fossgaard,
A.~S.~P.~Gomes, T.~Helgaker, J.~K.~L{\ae}rdahl, Y.~S.~Lee, J.~Henriksson,
M.~Ilia{\v{s}}, Ch.~R.~Jacob, S.~Knecht, S.~Komorovsk{\'y}, O.~Kullie, C.~V.~Larsen, H.~S.~Nataraj,
P.~Norman, G.~Olejniczak, J.~Olsen, Y.~C.~Park, J.~K.~Pedersen, M.~Pernpointner,
K.~Ruud, P.~Sa{\l}ek, B.~Schimmelpfennig, J.~Sikkema, A.~J.~Thorvaldsen,
J.~Thyssen, J.~van~Stralen, S.~Villaume, O.~Visser, T.~Winther,
and S.~Yamamoto
(see http://www.diracprogram.org)"
}
DIRAC11
DIRAC, a relativistic ab initio electronic structure program, Release DIRAC11 (2011), written by R. Bast, H. J. Aa. Jensen, T. Saue, and L. Visscher, with contributions from V. Bakken, K. G. Dyall, S. Dubillard, U. Ekström, E. Eliav, T. Enevoldsen, T. Fleig, O. Fossgaard, A. S. P. Gomes, T. Helgaker, J. K. Lærdahl, J. Henriksson, M. Iliaš, Ch. R. Jacob, S. Knecht, C. V. Larsen, H. S. Nataraj, P. Norman, G. Olejniczak, J. Olsen, J. K. Pedersen, M. Pernpointner, K. Ruud, P. Sałek, B. Schimmelpfennig, J. Sikkema, A. J. Thorvaldsen, J. Thyssen, J. van Stralen, S. Villaume, O. Visser, T. Winther, and S. Yamamoto (see http://dirac.chem.vu.nl).
bibtex entry:
@Misc{DIRAC11,
note = "{DIRAC}, a relativistic ab initio electronic structure program,
Release {DIRAC11} (2011),
written by R.~Bast, H.~J.~{\relax Aa}.~Jensen, T.~Saue, and L.~Visscher,
with contributions from V.~Bakken, K.~G.~Dyall, S.~Dubillard,
U.~Ekstr{\"o}m, E.~Eliav, T.~Enevoldsen, T.~Fleig, O.~Fossgaard,
A.~S.~P.~Gomes, T.~Helgaker, J.~K.~L{\ae}rdahl, J.~Henriksson,
M.~Ilia{\v{s}}, Ch.~R.~Jacob, S.~Knecht, C.~V.~Larsen, H.~S.~Nataraj,
P.~Norman, G.~Olejniczak, J.~Olsen, J.~K.~Pedersen, M.~Pernpointner,
K.~Ruud, P.~Sa{\l}ek, B.~Schimmelpfennig, J.~Sikkema, A.~J.~Thorvaldsen,
J.~Thyssen, J.~van~Stralen, S.~Villaume, O.~Visser, T.~Winther,
and S.~Yamamoto
(see http://dirac.chem.vu.nl)"
}
DIRAC10
DIRAC, a relativistic ab initio electronic structure program, Release DIRAC10 (2010), written by T. Saue, L. Visscher and H. J. Aa. Jensen, with new contributions from R. Bast, K. G. Dyall, U. Ekström, E. Eliav, T. Enevoldsen, T. Fleig, A. S. P. Gomes, J. Henriksson, M. Iliaš, Ch. R. Jacob, S. Knecht, H. S. Nataraj, P. Norman, J. Olsen, M. Pernpointner, K. Ruud, B. Schimmelpfennig, J. Sikkema, A. Thorvaldsen, J. Thyssen, S. Villaume, and S. Yamamoto (see http://dirac.chem.vu.nl).
bibtex entry:
@Misc{DIRAC10,
note = "{DIRAC}, a relativistic ab initio electronic structure program, Release {DIRAC10} (2010),
written by T.~Saue, L.~Visscher and H.~J.~{\relax Aa}.~Jensen,
with contributions from R.~Bast, K.~G.~Dyall,
U.~Ekstr{\"o}m, E.~Eliav, T.~Enevoldsen, T.~Fleig, A.~S.~P.~Gomes,
J.~Henriksson, M.~Ilia{\v{s}}, Ch.~R.~Jacob, S.~Knecht, H.~S.~Nataraj, P.~Norman,
J.~Olsen, M.~Pernpointner, K.~Ruud, B.~Schimmelpfennig, J.~Sikkema,
A.~Thorvaldsen, J.~Thyssen, S.~Villaume, and S.~Yamamoto
(see http://dirac.chem.vu.nl)"
}
DIRAC08
DIRAC, a relativistic ab initio electronic structure program, Release DIRAC08 (2008), written by L. Visscher, H. J. Aa. Jensen, and T. Saue, with new contributions from R. Bast, S. Dubillard, K. G. Dyall, U. Ekström, E. Eliav, T. Fleig, A. S. P. Gomes, T. U. Helgaker, J. Henriksson, M. Iliaš, Ch. R. Jacob, S. Knecht, P. Norman, J. Olsen, M. Pernpointner, K. Ruud, P. Sałek, and J. Sikkema (see http://dirac.chem.sdu.dk).
bibtex entry:
@Misc{DIRAC08,
note = "{DIRAC}, a relativistic ab initio electronic structure program, Release {DIRAC08} (2008),
written by L.~Visscher, H.~J.~{\relax Aa}.~Jensen, and T.~Saue,
with new contributions from R.~Bast, S.~Dubillard, K.~G.~Dyall,
U.~Ekstr{\"o}m, E.~Eliav, T.~Fleig, A.~S.~P.~Gomes, T.~U.~Helgaker,
J.~Henriksson, M.~Ilia{\v{s}}, Ch.~R.~Jacob, S.~Knecht, P.~Norman,
J.~Olsen, M.~Pernpointner, K.~Ruud, P.~Sa{\l}ek, and J.~Sikkema
(see http://dirac.chem.sdu.dk)"
}
DIRAC04
DIRAC, a relativistic ab initio electronic structure program, Release DIRAC04 (2004), written by H. J. Aa. Jensen, T. Saue, and L. Visscher, with contributions from V. Bakken, E. Eliav, T. Enevoldsen, T. Fleig, O. Fossgaard, T. Helgaker, J. Lærdahl, C. V. Larsen, P. Norman, J. Olsen, M. Pernpointner, J. K. Pedersen, K. Ruud, P. Sałek, J. N. P. van Stralen, J. Thyssen, O. Visser, and T. Winther (see http://dirac.chem.sdu.dk).
bibtex entry:
@Misc{DIRAC04,
note = "{DIRAC}, a relativistic ab initio electronic structure program, Release {DIRAC04.0} (2004),
written by H.~J.~{\relax Aa}.~Jensen, T.~Saue, and L.~Visscher,
with contributions from V.~Bakken, E.~Eliav, T.~Enevoldsen,
T.~Fleig, O.~Fossgaard, T.~U.~Helgaker,
J.~L{\ae}rdahl, C.~V.~Larsen, P.~Norman, J.~Olsen,
M.~Pernpointner, J.~K.~Pedersen, K.~Ruud, P.~Sa{\l}ek,
J.~N.~P.~van Stralen, J.~Thyssen, O.~Visser, and T.~Winther
(see http://dirac.chem.sdu.dk)"
}
citation.1544735373.txt.gz · Last modified: 2018/12/13 22:09 by tsaue
