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The main authors of the CFOUR quantum chemistry package are

John F. Stanton (The University of Florida at Gainesville)
Jürgen Gauss (Universität Mainz)
Michael E. Harding (Karlsruher Institut für Technologie)
Péter G. Szalay (Eötvös-Lorand University Budapest)

Further contributions have been made (alphabetical order) by

Alexander A. Auer (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 (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)
Lan Cheng (John Hopkins University)
Ove Christiansen (Universität Mainz, now at the University of Aarhus, Denmark)
Franziska Engel (Universität Mainz)
Rasmus Faber (University of Copenhagen, Denmark)
Miriam Heckert (Universität Mainz, now at the TU München)
Oliver Heun (Universität Mainz, now working in industry)
Christian Huber (Universität Karlsruhe, now working in industry)
Thomas-Cristian Jagau (Universität Mainz, now at the LMU München)
Dan Jonsson (Universität Mainz, now at the University of Tromsø, Norway)
Jonas Jusélius (University of Helsinki, Finland, now working in industry)
Kerstin Klein (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)
Devin A. Matthews (The University of Texas at Austin)
Thorsten Metzroth (Universität Mainz, now working as teacher)
Leonie A. Mück (Universität Mainz, now Senior Editor at Nature)
Darragh P. O'Neill (Universität Mainz, now in Ireland)
David R. Price (The University of Texas at Austin)
Eric Prochnow (Universität Mainz, now working in consulting)
Cristina Puzzarini (University of Bologna, Italy)
Kenneth Ruud (University of Tromsø, Norway)
Florian Schiffmann (Universität Mainz, now at the Universität Zürich, Switzerland)
Chris Simmons (The University of Texas at Austin)
Werner Schwalbach(Universität Mainz, now working in industry)
Stella Stopkowicz (Universität Mainz)
Attila Tajti (Eötvös-Lorand University Budapest, now working in industry)
Juana Vázquez (The University of Texas at Austin)
Fan Wang (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, M.E. Harding, P.G. Szalay
with contributions from A.A. Auer, R.J. Bartlett, U. Benedikt, C. Berger, D.E. Bernholdt, Y.J. Bomble, L. Cheng, 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, D.A. Matthews, 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

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 February 28, 2017, at 10:46 PM
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CFOUR is partially supported by the U.S. National Science Foundation.