Octopus

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octopus

http://www.tddft.org/programs/octopus
Electronic structure based on time-dependent density functional theory

'octopus' is a computer package for the simulation of the electron-ion dynamics of finite systems in one and three dimensions under the influence of time-dependent electromagnetic fields. The electronic degrees of freedom are treated quantum mechanically within the time-dependent Kohn-Sham formalism, while the ions are handled classically. All quantities are expanded in a regular mesh in real-space; the simulations are performed in real-time. 'octopus' can also obtain static properties like ground-state geometries or static polarizabilities although it is not optimzed for this). The method employed proved quite reliable and general, and has been successfully used to calculate linear and non-linear absorption spectra, harmonic spectra, laser induced fragmentation, etc. of a variety of systems, from small clusters to medium sized quantum dots.



Download

http://www.tddft.org/programs/octopus/down.php?file=6.0/octopus-6.0.tar.gz

version 6.0 (stable)
released on 5 September 2016



User level

Intermediate


VCS Checkout

:pserver:anonymous@nautilus.fis.uc.pt:/server/cvsroot

Categories





Licensing

License

Verified by

Verified on

Notes

Verified by

Kelly Hopkins

Verified on

7 December 2009




Leaders and contributors

Contact(s)Role
Miguel A. L. Marques Maintainer
Heiko Appel Contributor
Xavier Andrade Maintainer
Micael Oliveira Contributor
Alberto Castro Contributor
Carlo Rozzi Contributor
Danilo Nitsche Contributor
David Strubbe Contributor


Resources and communication

AudienceResource typeURI
DeveloperVCS Repository Webviewhttp://www.tddft.org/svn/octopus/trunk
HelpE-mailmailto:octopus-announce@tddft.org
SupportE-mailmailto:octopus-users@tddft.org
Savannah (Ref)https://savannah.nongnu.org/projects/octopus
Ruby (Ref)https://rubygems.org/gems/octopus


Software prerequisites

This entry (in part or in whole) was last reviewed on 5 April 2018.



Entry






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