most citedPolarizable Continuum Models and Green's Function Formalism: On the Dynamics of the Solvent Electrons

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physics.chem-ph2023

Many-body calculations with very large scale polarizable environments made affordable: a fully ab initio QM/QM approach

David Amblard, Xavier Blase, Ivan Duchemin

We present a many-body formalism for quantum subsystems embedded in discrete polarizable environments containing up to several hundred thousand atoms described at a fully ab i…