Dalton (program)

Dalton

Initial release	1983
Stable release	2020 / 20 October 2020; 4 years ago (2020-10-20)[1]
Repository	gitlab.com/dalton/dalton
Written in	Fortran
Operating system	Linux
Type	Ab initio quantum chemistry methods, Density functional theory
License	GNU Lesser General Public License
Website	daltonprogram.org

Dalton (named after John Dalton) is an ab initio quantum chemistry computer program suite, consisting of the Dalton and LSDalton programs.^[2] 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.

See also

• Quantum chemistry software
• Centre for Theoretical and Computational Chemistry

External links

• Dalton project homepage

References

1. "Dalton release history". Retrieved 2019-11-28.
2. Aidas, Kestutis; et al. (2014). "The Dalton quantum chemistry program system". Wiley Interdisciplinary Reviews: Computational Molecular Science. 4 (3): 269–284. doi:10.1002/wcms.1172. PMC 4171759. PMID 25309629.