octopus (science/octopus) Updated: 2 years, 1 month ago Add to my watchlist
A real-space (time-dependent) density-functional theory code.Octopus is a scientific program aimed at 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.
Version: 12.1 License: GPL-2+
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