Q-Chem

Q-Chem

Q-Chem is an ab initio computational chemistry software program. [ "Computational Chemistry", David Young, Wiley-Interscience, 2001. Appendix A. A.2.7 pg 339, Q-Chem ] 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.

References

ee also

* GAMESS
* GAUSSIAN
* MOLCAS
* MOLPRO
* MPQC
* NWChem
* Psi3
* PC GAMESS
* TURBOMOLE
* Quantum chemistry computer programs

External links

* [http://www.q-chem.com/ Q-Chem Inc.]


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