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Octopus

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octopus

http://www.tddft.org/programs/octopus
'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

Download version 3.2.0 (stable)
released on 24 November 2009

VCS Checkout

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

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Licensing

LicenseVerified byVerified onNotes
GPLv2orlaterKelly Hopkins7 December 2009



Leaders and contributors

Contact(s)Role
David StrubbeContributor
Miguel A. L. Marques Maintainer
Heiko AppelContributor
Xavier AndradeMaintainer
Micael OliveiraContributor
Alberto CastroContributor
Carlo RozziContributor
Danilo NitscheContributor


Resources and communication

Audience Resource type URI
Developer VCS Repository Webview http://www.tddft.org/svn/octopus/trunk
Help E-mail mailto:octopus-announce@tddft.org
Support E-mail mailto:octopus-users@tddft.org


Software prerequisites

This entry (in part or in whole) was last reviewed on 7 December 2009.



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Permission is granted to copy, distribute and/or modify this document under the terms of the GNU Free Documentation License, Version 1.3 or any later version published by the Free Software Foundation; with no Invariant Sections, no Front-Cover Texts, and no Back-Cover Texts. A copy of the license is included in the page “GNU Free Documentation License”.

The copyright and license notices on this page only apply to the text on this page. Any software or copyright-licenses or other similar notices described in this text has its own copyright notice and license, which can usually be found in the distribution or license text itself.


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