Dalton (program)
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.
| Initial release | 1983 |
|---|---|
| Stable release | 2020
/ 20 October 2020[1] |
| Repository | gitlab |
| Written in | Fortran |
| Operating system | Linux |
| Type | Ab initio quantum chemistry methods, Density functional theory |
| License | GNU Lesser General Public License |
| Website | daltonprogram |
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
References
- "Dalton release history". Retrieved 2019-11-28.
- 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.
This article is issued from Wikipedia. The text is licensed under Creative Commons - Attribution - Sharealike. Additional terms may apply for the media files.