Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 7(23), p. 4413-4425, 2021
DOI: 10.1039/d0cp06359b
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Combining multilevel Hartree–Fock and multilevel coupled cluster approaches with molecular mechanics: a study of electronic excitations in solutions
Journal article published in 2021 by
Linda Goletto 
,
Tommaso Giovannini ,
Sarai D. Folkestad ,
Henrik Koch
,
Tommaso Giovannini ,
Sarai D. Folkestad ,
Henrik Koch
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Abstract
We present the coupling of different quantum-embedding approaches with a third molecular-mechanics layer, which can be either polarizable or non-polarizable.