Octopus
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.
- Short Name / Acronym:
- OCTOPUS
- Project Type:
- Open Source, Publicly Available Repository
- Site Accession Number:
- 5602
- Software Type:
- Scientific
- License(s):
- Other
- Research Organization:
- Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
- Sponsoring Organization:
- USDOEPrimary Award/Contract Number:AR0000180
- DOE Contract Number:
- AR0000180
- Code ID:
- 54883
- OSTI ID:
- 1232142
- Country of Origin:
- United States
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