Octopus
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.
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Leaders and contributors
| Contact(s) | Role |
|---|---|
| David Strubbe | Contributor |
| Xavier Andrade | Maintainer |
| Micael Oliveira | Contributor |
| Alberto Castro | Contributor |
| Danilo Nitsche | Contributor |
| Carlo Rozzi | Contributor |
| Miguel A. L. Marques | Maintainer |
| Heiko Appel | Contributor |
Resources and communication
| Audience | Resource type | URI |
|---|---|---|
| Support | mailto:octopus-users@tddft.org | |
| Developer | VCS Repository Webview | http://www.tddft.org/svn/octopus/trunk |
| Ruby (Ref) | https://rubygems.org/gems/octopus | |
| Savannah (Ref) | https://savannah.nongnu.org/projects/octopus | |
| Help | mailto:octopus-announce@tddft.org |
Software prerequisites
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”.
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