Q-Chem

From Wikipedia, the free encyclopedia

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.

[edit] References

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

[edit] External link

• Q-Chem Inc.