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Octopus is a scientific program aimed at the ab initio virtual experimentation on a hopefully ever-increasing range of system types. Electrons are described quantum-mechanically within density-functional theory (DFT), in its time-dependent form (TDDFT) when doing simulations in time. Nuclei are described classically as point particles. Electron-nucleus interaction is described within the pseudopotential approximation.

Octopus is free software, released under the GPL license, so you are free to use it and modify it.


Users

Useful Info

Some examples

Development

Related projects

Latest news

2012-03-23 Released libxc 1.2.0

2012-02-03 Version 4.0.1 (stable) released.

2011-06-19 Version 4.0.0 (stable) released.

2011-05-12 Released libxc 1.1.0

2010-07-09 Released libxc 1.0.0

2010-03-30 Released CMSP-2.0.5

2009-11-24 Version 3.2.0 (stable) released.

2009-11-04 Version 3.1.1 (stable) released.

2009-04-14 Version 3.1.0 (stable) released.

2009-03-31 Released libxc-1.0-alpha

2008-05-08 Version 3.0.1 (stable) released.

2008-02-19 Version 3.0.0 (stable) released.

2007-11-23 Released new version of the xyz-tools.

2007-06-05 Version 2.1.0 (stable) released.

Complete news list

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