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.
|octopus-5.0.1.tar.gz||00049317344.7 MB||1464675709almost 2 years ago|
|octopus.spec||00000032333.16 KB||15173692733 months ago|