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Authors

The main authors of the CFOUR quantum chemistry package are

John F. Stanton (The University of Florida at Gainesville)
Jürgen Gauss (Johannes Gutenberg-Universität Mainz)
Lan Cheng (John Hopkins University)
Michael E. Harding (Karlsruher Institut für Technologie)
Devin A. Matthews (The University of Texas at Austin)
Péter G. Szalay (Eötvös-Lorand University Budapest)

Further contributions have been made (alphabetical order) by

Alexander A. Auer (Johannes Gutenberg-Universität Mainz, now at the Max-Planck-Institut für Chemische Energiekonversion, Mülheim an der Ruhr )
Rodney J. Bartlett (University of Florida, Gainesville)
Udo Benedikt (Max-Planck-Institut für Chemische Energiekonversion, Mülheim an der Ruhr, now working in industry)
Christine Berger (Johannes Gutenberg-Universität Mainz, now at the Universität Marburg)
David E. Bernholdt (University of Florida at Gainesville, now at Oak Ridge National Laboratories)
Yannick J. Bomble (The University of Texas at Austin, now at National Renewable Energy Laboratory in Golden Colorado)
Ove Christiansen (Johannes Gutenberg-Universität Mainz, now at the University of Aarhus, Denmark)
Franziska Engel (Johannes Gutenberg-Universität Mainz)
Rasmus Faber (University of Copenhagen, Denmark, now at the Technical University of Denmark)
Miriam Heckert (Johannes Gutenberg-Universität Mainz, now at the TU München)
Oliver Heun (Johannes Gutenberg-Universität Mainz, now working in industry)
Christian Huber (Universität Karlsruhe, now working in industry)
Thomas-Cristian Jagau (Johannes Gutenberg-Universität Mainz, now at the LMU München)
Dan Jonsson (Johannes Gutenberg-Universität Mainz, now at the University of Tromsø, Norway)
Jonas Jusélius (University of Helsinki, Finland, now working in industry)
Kerstin Klein (Johannes Gutenberg-Universität Mainz. now working as a teacher)
Walter J. Lauderdale (University of Florida at Gainesville, now at the U.S. Airforce)
Filippo Lipparini (Universität Mainz, now at the University of Pisa, Italy)
Thorsten Metzroth (Johannes Gutenberg-Universität Mainz, now working as teacher)
Leonie A. Mück (Johannes Gutenberg-Universität Mainz, now at PLOS)
Darragh P. O'Neill (Johannes Gutenberg-Universität Mainz, now in Ireland)
David R. Price (The University of Texas at Austin)
Eric Prochnow (Johannes Gutenberg-Universität Mainz, now working in consulting)
Cristina Puzzarini (University of Bologna, Italy)
Kenneth Ruud (University of Tromsø, Norway)
Florian Schiffmann (Johannes Gutenberg-Universität Mainz, now at the Universität Zürich, Switzerland)
Chris Simmons (The University of Texas at Austin)
Werner Schwalbach(Johannes Gutenberg-Universität Mainz, now working in industry)
Stella Stopkowicz (Johannes Gutenberg-Universität Mainz)
Attila Tajti (Eötvös-Lorand University Budapest, now working in industry)
Juana Vázquez (The University of Texas at Austin)
Fan Wang (Johannes Gutenberg-Universität Mainz, now at Sichuan University, Chengdu, China)
John D. Watts (Jackson State University)

CFOUR should be cited as:

CFOUR, a quantum chemical program package written by J.F. Stanton, J. Gauss, L. Chengm, M.E. Harding, D.A. Matthews, P.G. Szalay
with contributions from A.A. Auer, R.J. Bartlett, U. Benedikt, C. Berger, D.E. Bernholdt, Y.J. Bomble, O. Christiansen, F. Engel, R. Faber, M. Heckert, O. Heun, C. Huber, T.-C. Jagau, D. Jonsson, J. Jusélius, K. Klein, W.J. Lauderdale, F. Lipparini, T. Metzroth, L.A. Mück, D.P. O'Neill, D.R. Price, E. Prochnow, C. Puzzarini, K. Ruud, F. Schiffmann, W. Schwalbach, C. Simmons, S. Stopkowicz, A. Tajti, J. Vázquez, F. Wang, J.D. Watts and the integral packages MOLECULE (J. Almlöf and P.R. Taylor), PROPS (P.R. Taylor), ABACUS (T. Helgaker, H.J. Aa. Jensen, P. Jørgensen, and J. Olsen), and ECP routines by A. V. Mitin and C. van Wüllen. For the current version, see http://www.cfour.de.

In addition, credit should be given to the corresponding papers (see Bibliography) which describe the underlying methodological developments.

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Page last modified on August 18, 2017, at 04:15 PM
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CFOUR is partially supported by the U.S. National Science Foundation.