Editing Gaussian (software) (section)

{{Short description|Computational chemistry software}}{{other uses|Gaussian}}
{{Infobox software
| name                   = 
| title                  = Gaussian
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| author                 = W. J. Hehre, W. A. Lathan, R. Ditchfield, M. D. Newton, [[John Pople]]
| developer              = Pople Research Group at Carnegie Mellon University;<br />Gaussian, Inc.
| released               = {{Start date and age|1970}}
| discontinued           = 
| latest release version = Gaussian 16
| latest release date    = {{Start date and age|2017}}
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| license                = [[Proprietary software|Proprietary]]
| website                = {{URL|www.gaussian.com}}
}}
'''Gaussian''' {{IPAc-en|ˈ|g|aʊ|s|.|i|.|ə|n}} is a general purpose [[computational chemistry]] software package initially released in 1970 by [[John Pople]]<ref>
{{cite journal
 |title= Publisher's note: Sir John A. Pople, 1925-2004
 |journal= Journal of Computational Chemistry
 |volume= 25 |issue= 9 |pages= fmv–vii
 |doi =10.1002/jcc.20049 
 |pmid= 15116364
 |year= 2004
}}</ref><ref>{{cite web|url=http://gaussian.com/people/?tabid=2 |title=John Pople and Gaussian}}</ref> and his research group at [[Carnegie Mellon University]] as Gaussian 70.<ref>W. J. Hehre, W. A. Lathan, R. Ditchfield, M. D. Newton, and J. A. Pople, Gaussian 70  (Quantum Chemistry Program Exchange, Program No. 237, 1970)</ref> It has been continuously updated since then.<ref>{{cite book|title=Computational Chemistry|url=https://archive.org/details/computationalche00youn_371|url-access=limited|first=David |last=Young|publisher= Wiley-Interscience|year= 2001|chapter= Appendix A. A.2.4 Gaussian|page= [https://archive.org/details/computationalche00youn_371/page/n399 336]}}</ref> The name  originates from Pople's use of [[Gaussian orbital]]s to speed up molecular electronic structure calculations as opposed to using [[Slater-type orbital]]s, a choice made to improve performance on the limited computing capacities of then-current computer hardware for [[Hartree–Fock]] calculations. The current version of the program is Gaussian 16.<ref>{{cite web|url=http://gaussian.com/citation/|title=Gaussian Citation}}</ref> Originally available through the Quantum Chemistry Program Exchange, it was later licensed out of [[Carnegie Mellon University]], and since 1987 has been developed and licensed by Gaussian, Inc.