Massively parallel quantum chemistry
(Redirected from
MPQC
)| Written in | FORTRAN 77 |
|---|---|
| Type | Computational chemistry |
| License | GNU General Public License |
| Website | www |
Massively Parallel Quantum Chemistry (MPQC) is an
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
References
- PMID 27631126.
- ISBN 978-1-4200-5164-3.
- ^ "Ubuntu – Package Search Results -- mpqc". Retrieved 2017-08-08.
- ^ "Debian -- Package Search Results -- mpqc". Retrieved 2017-08-08.
External links
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