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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.
Last updated 7 Jan, 2008
About
Leadership
- Miguel A. L. Marques - Maintainer
- Carlo Rozzi - Contributor
- Micael Oliveira - Contributor
- Heiko Appel - Contributor
Versions
1.4
1.4 stable released 2005-01-01
- Released: 1 Jan, 2005
- Code Maturity: Stable
- Source Archive: http://www.tddft.org/programs/octopus/down.php?...
- Licenses: GPLv2orlater
- Interfaces: Command Line
User Community and Support
General Resources
Announcement Resources
Support Resources
Development
Developer Resources
- VCS Checkout Command:
:pserver:anonymous@nautilus.fis.uc.pt:/server/cvsroot