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.zenodo.json
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25 lines (25 loc) · 743 Bytes
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{
"creators": [
{
"affiliation": "Eindhoven University of Technology",
"name": "Filot, Ivo",
"orcid": "0000-0003-1403-8379"
}
],
"description": "An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimization.",
"keywords": [
"Hartree-Fock",
"molecular orbital theory",
"molecular integrals",
"molecular orbital",
"gaussian type orbitals",
"computational chemistry",
"quantum chemistry",
"electronic structure",
"electronic structure calculations"
],
"license": {
"id": "GPL-3.0"
},
"title": "PyQInt"
}