This is a python based Kohn-Sham Inversion Evaluation Software package for use with pySCF.
Project description
KSPies
Kohn-Sham Python-based inversion Evaluation Software
Documentaiton: https://ssnam92.github.io/KSPies/index.html DOI for Code: https://doi.org/10.25351/V3.KS-PIES.2020
This package simplifies evaluating Kohn-Sham inversion potentials and densities for use in the quantum chemical technique Density Corrected Density Functional Theory (DC-DFT). In addition to documentation of the scientific code, this site includes information on installation, setup, use, and examples of use to equip quantum chemists and physicists with this useful toolkit. Please let us know if you have further questions, suggestions, or ideas.
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