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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Detalles Bibliográficos
Autores principales: 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: Online Artículo Texto
Lenguaje:English
Publicado: Blackwell Publishing Ltd 2014
Materias:
Software Focus
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4171759/
https://www.ncbi.nlm.nih.gov/pubmed/25309629
http://dx.doi.org/10.1002/wcms.1172

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