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.

last updated on:
June 7th, 2007, 22:35 GMT
price:
FREE!
developed by:
Octopus developer team
homepage:
www.tddft.org
license type:
GPL (GNU General Public License) 
category:
ROOT \ Science and Engineering \ Chemistry

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