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A TDDFT code

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.

Source Files

Filename Size Changed Actions
octopus-5.0.1.tar.gz 4.7 MB about 2 years ago
octopus.spec 3.16 KB 6 months ago Download File

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