ISBN: | 978-5-5113-4908-4 |
High Quality Content by WIKIPEDIA articles! Q-Chem is an ab initio 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. The Q-Chem computational engines are also included in Spartan.