Massively Parallel Quantum Chemistry (MPQC) is an ab initio computational chemistry software program. It is available for two Linux distributions: Debian and Ubuntu. It is free and open-source software with a GNU General Public License.
MPQC provides implementations for a number of important methods for calculating electronic structure, including Hartree–Fock method, Møller–Plesset perturbation theory (including its explicitly correlated linear R12 versions), and density functional theory.
See also
- List of quantum chemistry and solid state physics software