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PhysikMDB
All datasets provided on PhysikMDB are published under the Creative Commons Attribution-NonCommercial 4.0 International License (CC BY-NC 4.0). You are free to use, share, and adapt the data for non-commercial academic and research purposes.
To fulfill the attribution requirement of this license, you must formally cite the database in any resulting publications or derivative works.Please use the following citation when referencing or using any data obtained from this site:
will follow later
Additionally please cite the developers of the quantum chemistry code used to generate these results. In general you will find a list of suggested publications to cite in the output file of each calculation.
Liability for Content and Datasets
The datasets and information provided on PhysikMDB are intended exclusively for academic and scientific research
purposes. They are provided "as is" without any warranties of any kind, either expressed or implied. The
Institute of Physics and the University of Graz assume no liability for the accuracy, completeness, reliability,
or fitness for a particular purpose of the provided quantum chemical datasets. Any use of or reliance on the
data is strictly at your own risk.
Liability for Links
This website may contain links to external third-party websites. We have no influence on the content of those
websites and therefore cannot assume any liability for such external content. The respective provider or
operator of the linked pages is solely responsible for their content. Upon notification of legal violations, we
will remove such links immediately.
Bundled and served directly to the visitor's browser:
static/wasm/*.wasm and its *_wrapper.js glue are generated by the Emscripten
compiler from PhysikMDB's own *.c kernels. The generated runtime glue is Emscripten's own
code (MIT / University of Illinois-NCAS Open Source License); the compiled kernels themselves are PhysikMDB's
own code (EUPL-1.2).
The colormap anchor stops utilized for visualizations: viridis, magma, inferno, plasma, and cividis are
matplotlib colormaps (CC0 / public domain); turbo is a colormap by Google (Apache-2.0, ©
Google LLC).