octopus TDDFT 2.1.0
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octopus TDDFT 2.1.0 Ranking & Summary
File size:
2.4 MB
Platform:
Any Platform
License:
GPL (GNU General Public License)
Price:
Downloads:
887
Date added:
2007-06-07
Publisher:
Octopus developer team
octopus TDDFT 2.1.0 description
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.
Enhancements:
- 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.
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.
Enhancements:
- 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 Screenshot
octopus TDDFT 2.1.0 Keywords
TDDFT
TDDFT 2.1.0
ever increasing range
octopus tddft
ever increasing
ab initio
octopus
program
range
systems
virtual
initio
octopus TDDFT 2.1.0
Chemistry
Science and Engineering
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octopus TDDFT 2.1.0 Copyright
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