dc.contributor.author | Aidas, Kestutis | |
dc.contributor.author | Angeli, Celestino | |
dc.contributor.author | Bak, Keld L. | |
dc.contributor.author | Bakken, Vebjørn | |
dc.contributor.author | Bast, Radovan | |
dc.contributor.author | Boman, Linus | |
dc.contributor.author | Christiansen, Ove | |
dc.contributor.author | Cimiraglia, Renzo | |
dc.contributor.author | Coriani, Sonja | |
dc.contributor.author | Dahle, Pål | |
dc.contributor.author | Dalskov, Erik K. | |
dc.contributor.author | Ekström, Ulf Egil | |
dc.contributor.author | Enevoldsen, Thomas | |
dc.contributor.author | Eriksen, Janus J. | |
dc.contributor.author | Ettenhuber, Patrick | |
dc.contributor.author | Fernández, Berta | |
dc.contributor.author | Ferrighi, Lara | |
dc.contributor.author | Fliegl, Heike | |
dc.contributor.author | Frediani, Luca | |
dc.contributor.author | Hald, Kasper | |
dc.contributor.author | Halkier, Asger | |
dc.contributor.author | Hattig, Christof | |
dc.contributor.author | Heiberg, Hanne | |
dc.contributor.author | Helgaker, Trygve | |
dc.contributor.author | Hennum, Alf Christian | |
dc.contributor.author | Hettema, Hinne | |
dc.contributor.author | Hjertenæs, Eirik | |
dc.contributor.author | Høst, Stine | |
dc.contributor.author | Høyvik, Ida Marie | |
dc.contributor.author | Iozzi, Maria Francesca | |
dc.contributor.author | Jansik, Brannislav | |
dc.contributor.author | Jensen, Hans-Jørgen Aa. | |
dc.contributor.author | Jonsson, Dan Johan | |
dc.contributor.author | Jørgensen, Poul | |
dc.contributor.author | Kauczor, Johanna | |
dc.contributor.author | Kirpekar, Sheela | |
dc.contributor.author | Kjærgaard, Thomas | |
dc.contributor.author | Klopper, Wim | |
dc.contributor.author | Knecht, Stefan | |
dc.contributor.author | Kobayashi, Rika | |
dc.contributor.author | Koch, Henrik | |
dc.contributor.author | Kongsted, Jacob | |
dc.contributor.author | Krapp, Andreas | |
dc.contributor.author | Kristensen, Kasper | |
dc.contributor.author | Ligabue, Andrea | |
dc.contributor.author | Lutnæs, Ola B. | |
dc.contributor.author | Melo, Juan I. | |
dc.contributor.author | Mikkelsen, Kurt V. | |
dc.contributor.author | Myhre, Rolf Heilemann | |
dc.contributor.author | Neiss, Christian | |
dc.contributor.author | Nielsen, Christian B. | |
dc.contributor.author | Norman, Patrick | |
dc.contributor.author | Olsen, Jeppe | |
dc.contributor.author | Olsen, Jogvan Magnus H. | |
dc.contributor.author | Osted, Anders | |
dc.contributor.author | Packer, Martin J. | |
dc.contributor.author | Pawlowski, Filip | |
dc.contributor.author | Pedersen, Thomas Bondo | |
dc.contributor.author | Provasi, Patricio F. | |
dc.contributor.author | Reine, Simen Sommerfelt | |
dc.contributor.author | Rinkevicius, Zilvinas | |
dc.contributor.author | Ruden, Torgeir A. | |
dc.contributor.author | Ruud, Kenneth | |
dc.contributor.author | Rybkin, Vladimir V. | |
dc.contributor.author | Salek, Pawel | |
dc.contributor.author | Samson, Claire C. M. | |
dc.contributor.author | Sanchez de Meras, Alfredo | |
dc.contributor.author | Saue, Trond | |
dc.contributor.author | Sauer, Stephan P. A. | |
dc.contributor.author | Schimmelpfennig, Bernd | |
dc.contributor.author | Sneskov, Kristian | |
dc.contributor.author | Steindal, Arnfinn Hykkerud | |
dc.contributor.author | Sylvester-Hvid, Kristian O. | |
dc.contributor.author | Taylor, Peter R. | |
dc.contributor.author | Teale, Andrew M. | |
dc.contributor.author | Tellgren, Erik | |
dc.contributor.author | Tew, David P. | |
dc.contributor.author | Thorvaldsen, Andreas J. | |
dc.contributor.author | Thøgersen, Lea | |
dc.contributor.author | Vahtras, Olav | |
dc.contributor.author | Watson, Mark A. | |
dc.contributor.author | Wilson, David J. D. | |
dc.contributor.author | Ziolkowski, Marcin | |
dc.contributor.author | Ågren, Hans | |
dc.date.accessioned | 2017-10-16T07:21:49Z | |
dc.date.available | 2017-10-16T07:21:49Z | |
dc.date.created | 2014-01-17T16:59:57Z | |
dc.date.issued | 2014 | |
dc.identifier.citation | Wiley Interdisciplinary Reviews. Computational Molecular Science. 2014, 4 (3), 269-284. | nb_NO |
dc.identifier.issn | 1759-0876 | |
dc.identifier.uri | http://hdl.handle.net/11250/2460191 | |
dc.description.abstract | 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, whereas 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 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. | nb_NO |
dc.language.iso | eng | nb_NO |
dc.publisher | Wiley | nb_NO |
dc.rights | Attribution-NonCommercial-NoDerivatives 4.0 Internasjonal | * |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/deed.no | * |
dc.title | The Dalton quantum chemistry program system | nb_NO |
dc.type | Journal article | nb_NO |
dc.type | Peer reviewed | nb_NO |
dc.description.version | publishedVersion | nb_NO |
dc.source.pagenumber | 269-284 | nb_NO |
dc.source.volume | 4 | nb_NO |
dc.source.journal | Wiley Interdisciplinary Reviews. Computational Molecular Science | nb_NO |
dc.source.issue | 3 | nb_NO |
dc.identifier.doi | 10.1002/wcms.1172 | |
dc.identifier.cristin | 1093240 | |
dc.relation.project | Norges forskningsråd: 179568 | nb_NO |
dc.relation.project | Notur/NorStore: nn2962k | nb_NO |
dc.relation.project | Forsvarets forskningsinstitutt: 1258 | nb_NO |
dc.description.localcode | © 2013 John Wiley & Sons, Ltd. This is an open access article under the terms of the Creative Commons Attribution-NonCommercial-NoDerivs License, (CC BY-NC-ND 3.0) | nb_NO |
cristin.unitcode | 194,66,25,0 | |
cristin.unitname | Institutt for kjemi | |
cristin.ispublished | true | |
cristin.fulltext | original | |
cristin.qualitycode | 1 | |