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[资源] octopus TDDFT 2.1.0

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

octopus project is a program aimed at the ab initio virtual experimentation on a hopefully ever increasing range of systems types.

Electrons are describe quantum-mechanically within the 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.

What's New in This Release:

· The complex executable is gone, and all the work is done by the normal (a.k.a. real) executable.
· The type of the wavefunctions is selected automatically according to the input file.
· Dynamical polarizabities are calculated using linear response theory.
· Basic support for full potential all electron species.
· The texinfo documentation has been obsoleted and replaced by an online wiki based documentation.

download:http://linux.softpedia.com/progD ... Download-10920.html

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