Embedding Beyond Electrostatics: The Extended Polarizable Density Embedding Model
Author:
Affiliation:
1. Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, DK-5230 Odense M, Denmark
Funder
Danmarks Frie Forskningsfond
Novo Nordisk Fonden
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.2c08721
Reference60 articles.
1. Modeling environment effects on spectroscopies through QM/classical models
2. Excited states in large molecular systems through polarizable embedding
3. Polarizable embedding QM/MM: the future gold standard for complex (bio)systems?
4. Importance of the Intermolecular Pauli Repulsion in Embedding Calculations for Molecular Properties: The Case of Excitation Energies for a Chromophore in Hydrogen-Bonded Environments
5. Polarizable Density Embedding: A Solution to the Electron Spill-Out Problem in Multiscale Modeling
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