Q-Chem
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Q-Chem is a computational chemistry software program. 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.
External link
- Q-Chem Inc. (http://www.q-chem.com/)