Massively parallel quantum chemistry explained

Programming Language:	C++, C and FORTRAN 77
Genre:	Computational chemistry
License:	GNU General Public License

Massively Parallel Quantum Chemistry (MPQC) is an ab initio computational chemistry software program. Three features distinguish it from other quantum chemistry programs such as Gaussian and GAMESS: it is open-source, has an object-oriented design, and is created from the beginning as a parallel processing program.^[1] It is available in Ubuntu and Debian.^{[2] [3]}

MPQC provides implementations for a number of important methods for calculating electronic structure, including Hartree - Fock, 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

External links

• MPQC Homepage

Notes and References

1. Book: Janssen. Curtis L.. Nielsen. Ida M. B.. Parallel Computing in Quantum Chemistry. limited. CRC Press. 2008 . Boca Raton, Florida . 5. 978-1-4200-5164-3 .
2. Web site: Ubuntu – Package Search Results -- mpqc . 2017-08-08.
3. Web site: Debian -- Package Search Results -- mpqc . 2017-08-08.