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List of quantum chemistry and solid-state physics software

Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry. Most include the Hartree–Fock (HF) and some post-Hartree–Fock methods. They may also include density functional theory (DFT), molecular mechanics or semi-empirical quantum chemistry methods. The programs include both open source and…

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1 related topics

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Computational chemistry Quantum chemistry Hartree–Fock Post-Hartree–Fock Density functional theory

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Computational chemistry
Quantum chemistry
Hartree–Fock
Post-Hartree–Fock
Density functional theory
Molecular mechanics
Semi-empirical quantum chemistry methods Semi-empirical quantum chemistry method
Open source Open-source software

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List of quantum chemistry and solid-state physics software

Nodes12

Edges11

Triples0

Avg. degree1.83

Density0.166667

Components1

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chemistry programs methods quantum include computational software also simulating hf dft molecular mechanics semi-empirical commercial solid-state physics processing packages program

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