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Search results for chemistry hartree fock
chemistry
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hartree-fock
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8 search results found
Nwchem
⭐
442
NWChem: Open Source High-Performance Computational Chemistry
Quick
⭐
118
QUICK: A GPU-enabled ab intio quantum chemistry software package
Fermi.jl
⭐
92
Fermi quantum chemistry program
Mcmurchie Davidson
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54
do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
Slowquant
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39
Quante.jl
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14
Quantum-chemistry methods in Julia. Based on Rick Muller's PyQuante2
Proteindf
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12
Canonical (Kohn-Sham) molecular orbital calculation software for large molecules such as protein
Hartree Fock
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7
Solution of Hartree-Fock equations within Pople's STO-3G basis set
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1-8 of 8 search results
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