Octopus
This entry published by the Free Software Foundation.
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.
Licensing
| License | Verified by | Verified on | Notes |
|---|---|---|---|
| GPLv2orlater | Kelly Hopkins | 2455172.57 December 2009 |
Leaders and contributors
| Contact(s) | Role |
|---|---|
 Miguel A. L. Marques | Maintainer |
| Xavier Andrade | Maintainer |
| Alberto Castro | Contributor |
| Carlo Rozzi | Contributor |
| Danilo Nitsche | Contributor |
| David Strubbe | Contributor |
| Heiko Appel | Contributor |
| Micael Oliveira | Contributor |
Resources and communication
| Audience | Resource type | URI |
|---|---|---|
| Help | mailto:octopus-announce@tddft.org | |
| Support | mailto:octopus-users@tddft.org | |
| Developer | VCS Repository Webview | http://www.tddft.org/svn/octopus/trunk |
Software prerequisites
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This entry (in part or in whole) was last reviewed on 7 December 2009.
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This page was last modified on 12 April 2011, at 13:37.