Hybrid procedure for the treatment of large molecular systems. A crucial part of the system (e.g., the chromophore and its surroundings) is treated explicitly by quantum mechanical (
QM) techniques, whereas the rest of the system is approximated by a classical or molecular mechanics (
MM) force field treatment.
Note:
Sometimes called QC/MM.
Source:
PAC, 2007, 79, 293. 'Glossary of terms used in photochemistry, 3rd edition (IUPAC Recommendations 2006)' on page 406 (https://doi.org/10.1351/pac200779030293)