The Dalton quantum chemistry program system

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...

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Detalhes bibliográficos
Main Authors: Aidas, Kestutis, Angeli, Celestino, Bak, Keld L, Bakken, Vebjørn, Bast, Radovan, Boman, Linus, Christiansen, Ove, Cimiraglia, Renzo, Coriani, Sonia, Dahle, Pål, Dalskov, Erik K, Ekström, Ulf, Enevoldsen, Thomas, Eriksen, Janus J, Ettenhuber, Patrick, Fernández, Berta, Ferrighi, Lara, Fliegl, Heike, Frediani, Luca, Hald, Kasper, Halkier, Asger, Hättig, Christof, Heiberg, Hanne, Helgaker, Trygve, Hennum, Alf Christian, Hettema, Hinne, Hjertenæs, Eirik, Høst, Stinne, Høyvik, Ida-Marie, Iozzi, Maria Francesca, Jansík, Branislav, Jensen, Hans Jørgen Aa, Jonsson, Dan, Jørgensen, Poul, Kauczor, Joanna, Kirpekar, Sheela, Kjærgaard, Thomas, Klopper, Wim, Knecht, Stefan, Kobayashi, Rika, Koch, Henrik, Kongsted, Jacob, Krapp, Andreas, Kristensen, Kasper, Ligabue, Andrea, Lutnæs, Ola B, Melo, Juan I, Mikkelsen, Kurt V, Myhre, Rolf H, Neiss, Christian, Nielsen, Christian B, Norman, Patrick, Olsen, Jeppe, Olsen, Jógvan Magnus H, Osted, Anders, Packer, Martin J, Pawlowski, Filip, Pedersen, Thomas B, Provasi, Patricio F, Reine, Simen, Rinkevicius, Zilvinas, Ruden, Torgeir A, Ruud, Kenneth, Rybkin, Vladimir V, Sałek, Pawel, Samson, Claire C M, de Merás, Alfredo Sánchez, Saue, Trond, Sauer, Stephan P A, Schimmelpfennig, Bernd, Sneskov, Kristian, Steindal, Arnfinn H, Sylvester-Hvid, Kristian O, Taylor, Peter R, Teale, Andrew M, Tellgren, Erik I, Tew, David P, Thorvaldsen, Andreas J, Thøgersen, Lea, Vahtras, Olav, Watson, Mark A, Wilson, David J D, Ziolkowski, Marcin, Ågren, Hans
Formato: Artigo
Idioma:Inglês
Publicado em: Blackwell Publishing Ltd 2014
Assuntos:
Software Focus
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4171759/
https://ncbi.nlm.nih.gov/pubmed/25309629
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/wcms.1172
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