CFOUR | Main / 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 (The Johns Hopkins University)
Michael E. Harding (Karlsruher Institut für Technologie)
Devin A. Matthews (Southern Methodist University)
Péter G. Szalay (Eötvös-Lorand University Budapest)

Further contributions have been made (alphabetical order) by

Ayush Asthana (Johns-Hopkins University, now at ?)
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)
Simon Blaschke (Johannes Gutenberg-Universität Mainz)
Yannick J. Bomble (The University of Texas at Austin, now at National Renewable Energy Laboratory in Golden Colorado)
Sophia Burger (Johannes Gutenberg-Universität Mainz)
Ove Christiansen (Johannes Gutenberg-Universität Mainz, now at the University of Aarhus, Denmark)
Dipayan Datta (Johannes Gutenberg-Universität Mainz, now at Iowa State University)
Franziska Engel (Johannes Gutenberg-Universität Mainz)
Rasmus Faber (University of Copenhagen, Denmark, now at the Technical University of Denmark)
Jonas Greiner (Johannes Gutenberg-Universität Mainz)
Miriam Heckert (Johannes Gutenberg-Universität Mainz, now at the TU München)
Oliver Heun (Johannes Gutenberg-Universität Mainz, now working in industry)
Mareike Hilgenberg (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 Katholieke Universiteit Leuven)
Dan Jonsson (Johannes Gutenberg-Universität Mainz, now at the University of Tromsø, Norway)
Jonas Jusélius (University of Helsinki, Finland, now working in industry)
Till Kirsch (Johannes Gutenberg-Universität Mainz)
Marios-Petros Kitsaras (Johannes Gutenberg-Universität Mainz)
Kerstin Klein (Johannes Gutenberg-Universität Mainz, now working as a teacher)
Gila M. Kopper (Johannes Gutenberg-Universität Mainz)
Walter J. Lauderdale (University of Florida at Gainesville, now at the U.S. Airforce)
Filippo Lipparini (University of Pisa, Italy)
Junzi Liu, Johns Hopkins University, now at University of Science and Technology Beijing
Thorsten Metzroth (Johannes Gutenberg-Universität Mainz, now working as teacher)
Leonie A. Mück (Johannes Gutenberg-Universität Mainz, now at Riverlane)
Tommaso Nottoli (University of Pisa, Italy)
Darragh P. O'Neill (Johannes Gutenberg-Universität Mainz, now in Ireland)
Jeremias Oswald (Johannes Gutenberg-Universität Mainz)
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 (Universität des Saarlandes)
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)
Chaoqun Zhang (Johns Hopkins University)
Xuechen Zheng (Johns Hopkins University)

CFOUR should be cited as:

CFOUR, a quantum chemical program package written by J.F. Stanton, J. Gauss, L. Cheng, M.E. Harding, D.A. Matthews, P.G. Szalay
with contributions from A. Asthana, A.A. Auer, R.J. Bartlett, U. Benedikt, C. Berger, D.E. Bernholdt, S. Blaschke, Y.J. Bomble, S. Burger, O. Christiansen, D. Datta, F. Engel, R. Faber, J. Greiner, M. Heckert, O. Heun, M. Hilgenberg, C. Huber, T.-C. Jagau, D. Jonsson, J. Jusélius, T. Kirsch, M.-P. Kitsaras, K. Klein, G.M. Kopper, W.J. Lauderdale, F. Lipparini, J. Liu, T. Metzroth, L.A. Mück, T. Nottoli, D.P. O'Neill, J. Oswald, 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, C. Zhang, X. Zheng 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.