Aidas, Kestutis54; Angeli, Celestino3; Bak, Keld Lars4; Bakken, Vebjørn55; Bast, Radovan6; Boman, Linus7; Christiansen, Ove8; Cimiraglia, Renzo9; Coriani, Sonia8; Dahle, Pål10; Dalskov, Erik K.11; Ekström, Ulf12; Enevoldsen, Thomas13; Eriksen, Janus Juul8; Ettenhuber, Patrick8; Fernández, Berta6; Ferrighi, Lara14; Fliegl, Heike12; Frediani, Luca14; Hald, Kasper15; Halkier, Asger16; Hättig, Christof17; Heiberg, Hanne18; Helgaker, Trygve12; Hennum, Alf Christian19; Hettema, Hinne20; Hjertenæs, Eirik56; Høst, Stinne22; Høyvik, Ida-Marie8; Iozzi, Maria Francesca23; Jansik, Branislav8; Jensen, Hans Jørgen Aagaard24; Jonsson, Dan14; Jørgensen, Poul8; Kauczor, Joanna25; Kirpekar, Sheela26; Kjærgaard, Thomas8; Klopper, Wim27; Knecht, Stefan24; Kobayashi, Rika28; Koch, Henrik56; Kongsted, Jacob24; Krapp, Andreas29; Kristensen, Kasper8; Ligabue, Andrea30; Lutnæs, Ola B.31; Melo, Juan I.32; Mikkelsen, Kurt Valentin57; Myhre, Rolf H.56; Neiss, Christian33; Nielsen, Christian B.34; Norman, Patrick35; Olsen, Jeppe8; Olsen, Jógvan Magnus Haugaard24; Osted, Anders36; Packer, Martin J.13; Pawlowski, Filip8; Pedersen, Thomas B.12; Provasi, Patricio F.37; Reine, Simen12; Rinkevicius, Zilvinas38; Ruden, Torgeir A.39; Ruud, Kenneth14; Rybkin, Vladimir27; Salek, Pawel40; Samson, Claire C. M.27; Sánchez de Merás, Alfredo41; Saue, Trond42; Sauer, Stephan P. A.57; Schimmelpfennig, Bernd43; Sneskov, Kristian8; Steindal, Arnfinn H.14; Sylvester–Hvid, Kristian O.44; Taylor, Peter R.45; Teale, Andrew M.58; Tellgren, Erik I.12; Tew, David P.47; Thorvaldsen, Andreas J.48; Thøgersen, Lea49; Vahtras, Olav50; Watson, Mark A.51; Wilson, David J. D.52; Ziolkowski, Marcin53; Ågren, Hans50
1 Administration, Department of Chemistry, Faculty of Science, Københavns Universitet2 Vilnius University3 University of Ferrara,4 Ingeniørhøjskolen Aarhus Universitet - Bioteknologi og kemi5 University of Oslo6 unknown7 EMGS ASA, Trondheim8 Institut for Kemi, Aarhus Universitet9 Department of Chemistry, University of Ferrara10 Norwegian Computing Center, Oslo11 Systematic, Aarhus12 CTCC, Department of Chemistry, University of Oslo13 Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Odense14 University of Tromsø15 Danske Bank, Horsens16 CSC Scandihealth, Aarhus17 Department of Theoretical Chemistry, Ruhr–University Bochum18 Norwegian Meteorological Institute, Oslo19 Norwegian Defence Research Establishment, Kjeller20 Department of Philosophy, University of Auckland21 Norwegian University of Science and Technology22 Institut for Geoscience23 University Centre of Information Technology, University of Oslo24 Institut for Fysik, Kemi og Farmaci25 Department of Chemistry, Physics and Biology, Linköping University26 KVUC, Copenhagen27 Institute of Physical Chemistry, Karlsruhe Institute of Technology28 Australian National University29 Jotun A/S, Sandefjord30 Computer Services: Networks and Systems, University of Modena and Reggio Emilia31 Cisco Systems, Lysaker32 Physics Department, FCEyN-UBA and IFIBA, Ciudad Universitaria, of Buenos Aires33 Department of Chemistry and Pharmacy, Friedrich-Alexander University Erlangen–Nürnberg34 Sun Chemical A/S35 Department of Physics, Chemistry and Biology, Linköping University36 Køge Gymnasium, Køge37 Department of Physics, University of Northeastern, Corrientes38 Department of Theoretical Chemistry and Biology, School of Biotechnology and Swedish e-Science Research Center (SeRC), KTH Royal Institute of Technology, Stockholm39 Kjeller Software Community, Oslo40 PSS9 Development, Cracow41 Institute of Molecular Science, University of Valencia42 Paul Sabatier University, Toulouse43 Institute for Nuclear Waste Disposal, Karlsruhe Institute of Technology, Karlsruhe44 Danish Technological Institute Nano- and Microtechnology Production, Taastrup45 VLSCI and School of Chemistry, University of Melbourne46 University of Nottingham47 School of Chemistry, University of Bristol48 Department of Chemistry, Aarhus University49 Center for Bioinformatik (BiRC)50 Department of Theoretical Chemistry and Biology, School of Biotechnology, KTH Royal Institute of Technology, Stockholm51 Princeton University52 Department of Chemistry and La Trobe Institute for Molecular Sciences, La Trobe University, Melbourne53 CoE for Next Generation Computing, Clemson University54 Vilnius University55 University of Oslo56 Norwegian University of Science and Technology57 Administration, Department of Chemistry, Faculty of Science, Københavns Universitet58 University of Nottingham
Dalton is a powerful general-purpose program system for the study of molecular electronic structure at the Hartree–Fock, Kohn–Sham, multiconfigurational self-consistent-field, Møller–Plesset, configuration-interaction, and coupled-cluster levels of theory. Apart from the total energy, a wide variety of molecular properties may be calculated using these electronic-structure models. Molecular gradients and Hessians are available for geometry optimizations, molecular dynamics, and vibrational studies, while magnetic resonance and optical activity can be studied in a gauge-origininvariant 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 may be included using various dielectric-medium and quantum-mechanics/molecular-mechanics models. Large molecules may be studied using linear-scaling and massively parallel algorithms. Dalton is distributed at no cost from http://www.daltonprogram.org for a number of UNIX platforms.