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View All on GitHub Parsing all basis sets available in Basis Set Exchange about 1 month ago
AI Summary: Evaluate the feasibility and benefits of integrating BasisSets.jl's Basis Set Exchange parsing capabilities and basis set optimization techniques into Quiqbox.jl. This involves assessing compatibility, potential improvements to Quiqbox's basis set handling, and the collaborative effort required.
Complexity:
4/5
good first issue
Exploring the computational complexity of fermionic quantum systems. Electronic-structure computation and basis-set modeling.
Julia
#basis-set#electronic-structure#hartree-fock#many-body-physics#molecular-integrals#molecule#quantum#quantum-chemistry