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.
Sometimes called QC/MM.
PAC, 2007, 79, 293
(Glossary of terms used in photochemistry, 3rd edition (IUPAC Recommendations 2006))
on page 406
IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by
A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997).
XML on-line corrected version: http://goldbook.iupac.org (2006-) created by M. Nic,
J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0-9678550-9-8. https://doi.org/10.1351/goldbook