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dc.contributor.authorAidas, Kestutis
dc.contributor.authorAngeli, Celestino
dc.contributor.authorBak, Keld L.
dc.contributor.authorBakken, Vebjørn
dc.contributor.authorBast, Radovan
dc.contributor.authorBoman, Linus
dc.contributor.authorChristiansen, Ove
dc.contributor.authorCimiraglia, Renzo
dc.contributor.authorCoriani, Sonja
dc.contributor.authorDahle, Pål
dc.contributor.authorDalskov, Erik K.
dc.contributor.authorEkström, Ulf Egil
dc.contributor.authorEnevoldsen, Thomas
dc.contributor.authorEriksen, Janus J.
dc.contributor.authorEttenhuber, Patrick
dc.contributor.authorFernández, Berta
dc.contributor.authorFerrighi, Lara
dc.contributor.authorFliegl, Heike
dc.contributor.authorFrediani, Luca
dc.contributor.authorHald, Kasper
dc.contributor.authorHalkier, Asger
dc.contributor.authorHattig, Christof
dc.contributor.authorHeiberg, Hanne
dc.contributor.authorHelgaker, Trygve
dc.contributor.authorHennum, Alf Christian
dc.contributor.authorHettema, Hinne
dc.contributor.authorHjertenæs, Eirik
dc.contributor.authorHøst, Stine
dc.contributor.authorHøyvik, Ida Marie
dc.contributor.authorIozzi, Maria Francesca
dc.contributor.authorJansik, Brannislav
dc.contributor.authorJensen, Hans-Jørgen Aa.
dc.contributor.authorJonsson, Dan Johan
dc.contributor.authorJørgensen, Poul
dc.contributor.authorKauczor, Johanna
dc.contributor.authorKirpekar, Sheela
dc.contributor.authorKjærgaard, Thomas
dc.contributor.authorKlopper, Wim
dc.contributor.authorKnecht, Stefan
dc.contributor.authorKobayashi, Rika
dc.contributor.authorKoch, Henrik
dc.contributor.authorKongsted, Jacob
dc.contributor.authorKrapp, Andreas
dc.contributor.authorKristensen, Kasper
dc.contributor.authorLigabue, Andrea
dc.contributor.authorLutnæs, Ola B.
dc.contributor.authorMelo, Juan I.
dc.contributor.authorMikkelsen, Kurt V.
dc.contributor.authorMyhre, Rolf Heilemann
dc.contributor.authorNeiss, Christian
dc.contributor.authorNielsen, Christian B.
dc.contributor.authorNorman, Patrick
dc.contributor.authorOlsen, Jeppe
dc.contributor.authorOlsen, Jogvan Magnus H.
dc.contributor.authorOsted, Anders
dc.contributor.authorPacker, Martin J.
dc.contributor.authorPawlowski, Filip
dc.contributor.authorPedersen, Thomas Bondo
dc.contributor.authorProvasi, Patricio F.
dc.contributor.authorReine, Simen Sommerfelt
dc.contributor.authorRinkevicius, Zilvinas
dc.contributor.authorRuden, Torgeir A.
dc.contributor.authorRuud, Kenneth
dc.contributor.authorRybkin, Vladimir V.
dc.contributor.authorSalek, Pawel
dc.contributor.authorSamson, Claire C. M.
dc.contributor.authorSanchez de Meras, Alfredo
dc.contributor.authorSaue, Trond
dc.contributor.authorSauer, Stephan P. A.
dc.contributor.authorSchimmelpfennig, Bernd
dc.contributor.authorSneskov, Kristian
dc.contributor.authorSteindal, Arnfinn Hykkerud
dc.contributor.authorSylvester-Hvid, Kristian O.
dc.contributor.authorTaylor, Peter R.
dc.contributor.authorTeale, Andrew M.
dc.contributor.authorTellgren, Erik
dc.contributor.authorTew, David P.
dc.contributor.authorThorvaldsen, Andreas J.
dc.contributor.authorThøgersen, Lea
dc.contributor.authorVahtras, Olav
dc.contributor.authorWatson, Mark A.
dc.contributor.authorWilson, David J. D.
dc.contributor.authorZiolkowski, Marcin
dc.contributor.authorÅgren, Hans
dc.date.accessioned2017-10-19T07:46:26Z
dc.date.available2017-10-19T07:46:26Z
dc.date.issued2014-05
dc.description.abstractDalton 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.en_US
dc.descriptionSource at <a href=http://dx.doi.org/10.1002/wcms.1172> http://dx.doi.org/10.1002/wcms.1172 </a>en_US
dc.identifier.citationAidas K ... [et. al.]: The Dalton quantum chemistry program system. Wiley Interdisciplinary Reviews. Computational Molecular Science. 2014;4(3):269-284en_US
dc.identifier.cristinIDFRIDAID 1093240
dc.identifier.doi10.1002/wcms.1172
dc.identifier.issn1759-0876
dc.identifier.issn1759-0884
dc.identifier.urihttps://hdl.handle.net/10037/11674
dc.language.isoengen_US
dc.publisherWileyen_US
dc.relation.journalWiley Interdisciplinary Reviews. Computational Molecular Science
dc.relation.projectIDNorges forskningsråd: 179568en_US
dc.relation.projectIDNotur/NorStore: nn2962ken_US
dc.relation.projectIDForsvarets forskningsinstitutt: 1258en_US
dc.relation.projectIDinfo:eu-repo/grantAgreement/RCN/SFF/179568/Norway/CTCC//en_US
dc.rights.accessRightsopenAccessen_US
dc.subjectVDP::Matematikk og Naturvitenskap: 400::Kjemi: 440::Teoretisk kjemi, kvantekjemi: 444en_US
dc.subjectVDP::Mathematics and natural science: 400::Chemistry: 440::Theoretical chemistry, quantum chemistry: 444en_US
dc.titleThe Dalton quantum chemistry program systemen_US
dc.typeJournal articleen_US
dc.typeTidsskriftartikkelen_US
dc.typePeer revieweden_US


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