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Search results for dft hartree fock
dft
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hartree-fock
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4 search results found
Molgw
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34
Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
Featom
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9
Finite Element Solvers for Atomic Structure Calculations
Orbitalperturbation
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6
Utility for the perturbation of molecular orbitals delivered by standard quantum chemical packages
Dft_1d
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5
A library for 1-dimensional density functional theory (DFT) calculations and analysis.
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