:Dalton (program)

{{notability|Products|date=March 2016}}

{{Infobox software

| name = Dalton

| released = 1983

| latest release version = 2020

| latest release date = {{release date and age|2020|10|20|df=yes}}{{cite web | url = https://daltonprogram.org/ | title = Dalton release history | access-date = 2019-11-28}}

| programming language = Fortran

| operating system = Linux

| genre = Ab initio quantum chemistry methods, Density functional theory

| license = GNU Lesser General Public License

| website = {{URL|https://daltonprogram.org/}}

| repo = {{URL|https://gitlab.com/dalton/dalton}}

}}

Dalton (named after John Dalton) is an ab initio quantum chemistry computer program suite, consisting of the Dalton and LSDalton programs.{{cite journal|last1=Aidas|first1=Kestutis|last2=Angeli|first2=Celestino|last3=Bak|first3=Keld L.|last4=Bakken|first4=Vebjørn|last5=Bast|first5=Radovan|last6=Boman|first6=Linus|last7=Christiansen|first7=Ove|last8=Cimiraglia|first8=Renzo|last9=Coriani|first9=Sonia|last10=Dahle|first10=Pål|last11=Dalskov|first11=Erik K.|last12=Ekström|first12=Ulf|last13=Enevoldsen|first13=Thomas|last14=Eriksen|first14=Janus J.|last15=Ettenhuber|first15=Patrick|last16=Fernández|first16=Berta|last17=Ferrighi|first17=Lara|last18=Fliegl|first18=Heike|last19=Frediani|first19=Luca|last20=Hald|first20=Kasper|last21=Halkier|first21=Asger|last22=Hättig|first22=Christof|last23=Heiberg|first23=Hanne|last24=Helgaker|first24=Trygve|last25=Hennum|first25=Alf Christian|last26=Hettema|first26=Hinne|last27=Hjertenæs|first27=Eirik|last28=Høst|first28=Stinne|last29=Høyvik|first29=Ida-Marie|last30=Iozzi|first30=Maria Francesca|last31=Jansík|first31=Branislav|last32=Jensen|first32=Hans Jørgen Aa.|last33=Jonsson|first33=Dan|last34=Jørgensen|first34=Poul|last35=Kauczor|first35=Joanna|last36=Kirpekar|first36=Sheela|last37=Kjærgaard|first37=Thomas|last38=Klopper|first38=Wim|last39=Knecht|first39=Stefan|last40=Kobayashi|first40=Rika|last41=Koch|first41=Henrik|last42=Kongsted|first42=Jacob|last43=Krapp|first43=Andreas|last44=Kristensen|first44=Kasper|last45=Ligabue|first45=Andrea|last46=Lutnæs|first46=Ola B.|last47=Melo|first47=Juan I.|last48=Mikkelsen|first48=Kurt V.|last49=Myhre|first49=Rolf H.|last50=Neiss|first50=Christian|last51=Nielsen|first51=Christian B.|last52=Normal|first52=Patrick|last53=Olsen|first53=Jeppe|last54=Olsen|first54=Jógvan Magnus H.|last55=Osted|first55=Anders|last56=Packer|first56=Martin J.|last57=Pawlowski|first57=Filip|last58=Pedersen|first58=Thomas B.|last59=Provasi|first59=Patricio F.|last60=Reine|first60=Simen|last61=Rinkevicius|first61=Zilvinas|last62=Ruden|first62=Torgeir A.|last63=Ruud|first63=Kenneth|last64=Rybkin|first64=Vladimir V.|last65=Sałek|first65=Pawel|last66=Samson|first66=Claire C. M.|last67=de Merás|first67=Alfredo Sánchez|last68=Saue|first68=Trond|last69=Sauer|first69=Stephan P. A.|last70=Schimmelpfennig|first70=Bernd|last71=Sneskov|first71=Kristian|last72=Steindal|first72=Arnfinn H.|last73=Sylvester-Hvid|first73=Kristian O.|last74=Taylor|first74=Peter R.|last75=Teale|first75=Andrew M.|last76=Tellgren|first76=Erik I.|last77=Tew|first77=David P.|last78=Thorvaldsen|first78=Andreas J.|last79=Thøgersen|first79=Lea|last80=Vahtras|first80=Olav|last81=Watson|first81=Mark A.|last82=Wilson|first82=David J. D.|last83=Ziolkowski|first83=Marcin|last84=Ågren|first84=Hans|display-authors=1|title=The Dalton quantum chemistry program system|journal=Wiley Interdisciplinary Reviews: Computational Molecular Science|date=2014|volume=4|issue=3|pages=269–284|doi=10.1002/wcms.1172|pmid=25309629|pmc=4171759}} The Dalton suite is capable of calculating various molecular properties using the Hartree–Fock, MP2, MCSCF and coupled cluster theories. Version 2.0 of DALTON added support for density functional theory calculations. There are many authors, including Trygve Helgaker, Poul Jørgensen and Kenneth Ruud.

Dalton switched to the open source GNU LGPL licence in August 2017.