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Q-Chem



Q-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 knowledge

References

  1. ^ Computational Chemistry, David Young, Wiley-Interscience, 2001. Appendix A. A.2.7 pg 339, Q-Chem

See also


 
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.
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