A TDDFT code

Edit Package octopus

Octopus is a scientific program aimed at the ab initio virtual experimentation on a hopefully ever increasing range of systems 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.

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Source Files
Filename Size Changed
octopus-5.0.1.tar.gz 0004931734 4.7 MB
octopus.spec 0000003233 3.16 KB
Latest Revision
Huaren Zhong's avatar Huaren Zhong (zhonghuaren) committed (revision 5)
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