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Q-ChemQ-Chem is an ab initio computational chemistry software program.[1] Q-Chem can perform a number of general quantum chemistry calculations, including Hartree-Fock, density functional theory (DFT), coupled cluster (CC), configuration interaction (for single electron excitations -- CIS) and other advanced electronic structure methods. Additional recommended knowledgeReferences
See also
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| This article is licensed under the GNU Free Documentation License. It uses material from the Wikipedia article "Q-Chem". A list of authors is available in Wikipedia. |
