octopus is a program aimed at the ab initio virtual experimentation on a hopefully ever increasing range of systems types. #Ab initio virtual experimentation #Increasing range #Octopus #TDDFT #Initio #Virtual
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.
octopus TDDFT 2.1.0
add to watchlist add to download basket send us an update REPORT- runs on:
- Linux
- filename:
- octopus-2.1.0.tar.gz
- main category:
- Science and Engineering
- developer:
- visit homepage
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