Aidas, Kestutis; Department of General Physics and Spectroscopy, Vilnius University
Angeli, Celestino; University of Ferrara
Bak, Keld
Bakken, Vebjørn; University of Oslo
Boman, Linus; EMGS ASA
Christiansen, Ove; Aarhus University, Department of Chemistry
Cimiraglia, Renzo; University of Ferrara, Department of Chemistry
Coriani, Sonia; University of Trieste, Department of Chemical and Pharmaceutical Sciences
Dahle, Pål; Norwegian Computing Center
Dalskov, Erik; Systematic
Ekström, Ulf; University of Oslo, Department of Chemistry
Enevoldsen, Thomas
Eriksen, Janus; Aarhus University, Department of Chemistry
Ettenhuber, Patrick; Aarhus University, Department of Chemistry
Fernandez, Berta; University of Santiago de Compostela
Ferrighi, Lara; Aarhus University
Fliegl, Heike; University of Oslo, Department of Chemistry
Frediani, Luca; University of Tromsø, Department of Chemistry
Fromage, Emmanuel; University of Strasbourg, LCQS
Hald, Kasper; Danske Bank
Halkier, Asger; CSC Scandihealth
Hättig, Christof; Ruhr-University Bochum,
Heiberg, Hanne; Norwegian Meteorological Institute
Helgaker, Trygve; Centre for Theoretical and Computational Chemistry, Dept. of Chemistry
Hennum, Alf Christian; Norwegian Defence Research Establishment
Hettema, Hinne; University of Auckland, Department of Philosophy
Høst, Stinne; Aarhus University, Department of Geoscience
Høyvik, Ida-Marie; Aarhus University, Department of Chemistry
Jansik, Branislav; Technical University of Ostrava., VSB
Jensen, Hans Jørgen; University of Southern Denmark, Department of Physics, Chemistry and Pharmacy
Jonsson, Dan; University of Tromsø , High-Performance Computing Group
Jørgensen, Poul; Aarhus University, Department of Chemistry
Kauczor, Joanna; Linköping University
Kirpekar, Sheela; KVUC
Kjærgaard, Thomas; Aarhus University, Department of Chemistry
Klopper, Wim; Karlsruhe Institute of Technology, Institute of Physical Chemistry
Knecht, Stefan; University of Southern Denmark, Department of Physics, Chemistry and Pharmacy
Kobayashi, Rika; Australian National University, ANU Supercomputer Facility
Kongsted, Jacob; University of Southern Denmark, Department of Physics Chemistry and Pharmacy
Koch, Henrik; Norwegian University of Science and Technology, Department of Chemistry
Krapp, Andreas; Jotun A/S, Hull Performance Solutions
Kristensen, Kasper; Aarhus University, Department of Chemistry
Ligabue, Andrea; University of Modena and Reggio Emilia, Computer Services: Networks and Systems
Lutnæs, Ola; Cisco Systems
Melo, Juan; University of Buenos Aires, Department of Physics
Mikkelsen, Kurt; University of Copenhagen, Department of Chemistry
Neiss, Christian; Friedrich-Alexander University Erlangen-Nürnberg, Department of Chemistry and Pharmacy
Nielsen, Christian; Sun Chemical
Norman, Patrick; Linköping University, Department of Physics, Chemistry and Biology
Olsen, Jeppe; Aarhus University, Department of Chemistry and Pharmacy
Olsen, Jógvan Magnus; University of Southern Denmark, Department ofPhysics, Chemistry and Pharmacy Physics, Chemistry and Pharmacy
Osted, Anders; Køge Gymansium
Packer, Martin; AstraZeneca PLC
Pawlowski, Filip; Kazimierz Wielki University, Institute of Physics
Pedersen, Thomas; University of Oslo, Department of Chemistry
Provasi, Patricio; University of Northeastern, Department of Physics
Reine, Simen; University of Oslo, Department of Chemistry
Rinkevicius, Zilvinas; Royal Institute of Technology
Ruden, Torgeir; Kjeller Software Community
Ruud, Kenneth; University of Tromsø, Department of Chemistry
Rybkin, Vladimir; Karlsruhe Institute of Technology
Salek, Pawel; PSS9 Development
Samson, Claire; Hoffmann-La Roche
Sanchez de Meras, Alfredo; University of Valencia
Saue, Trond; University of Toulouse
Sauer, Stephan; University of Copenhagen
Schimmelpfennig, Bernd; Institute for Nuclear Waste Disposal
Sneskov, Kristian
Steindal, Arnfinn; University of Tromsø, Department of Chemistry
Sylvester-Hvid, Kristian; The Danish Technological Institute
Taylor, Peter; University of Melbourne, VLSCI
Teale, Andrew; University of Nottingham, School of Chemistry
Tellgren, Erik; University of Oslo, Department of Chemistry
Tew, David; University of Bristol, School of Chemistry
Thorvaldsen, Andreas; Aarhus University, Department of Chemistry and Pharmacy
Thøgersen, Lea
Vahtras, Olav; Royal Institute of Technology
Watson, Mark; Princeton University, Department of Chemistry
Wilson, David; La Trobe University
Ågren, Hans; Royal Institute of Technology

WIREs Comput. Mol. Sci. 2013. doi: 10.1002/wcms.1172br> (Article first published online: 23 September 2013)

Dalton is a powerful general-purpose program system for the study of molecular electronic structure by state-of-the-art quantum-chemical techniques, based on use of the Hartree-Fock, Kohn-Sham, range-separated hybrid, multiconfigurational self-consistent-field, Møller-Plesset, configuration- interaction and coupled-cluster models. At all these levels of theory, a wide variety of molecular properties may be calculated following the energy optimization, utilizing Dalton's rich functionality for molecular-property calculations. At the time-independent level of theory, molecular gradients and Hessians are available for geometry optimizations, molecular dynamics, and vibrational studies--in addition, magnetic resonance and optical activity can be studied in a gauge-origin- invariant manner. Frequency-dependent molecular properties can be calculated using linear, quadratic, and cubic response theory. A large number of singlet and triplet perturbation operators are available for the study of one-, two-, and three-photon processes. Environmental effects can be modelled using dielectric-medium and quantum-mechanics/molecular-mechanics models. Energies and molecular properties of large molecules may be calculated using efficient linear-scaling and massively parallel algorithms. The Dalton source code is distributed at no cost to users with three types of licences (personal, site and benchmark) from http://www.daltonprogram.org. Dalton is available for a number of UNIX platforms.

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