Fragment-Based Local Coupled Cluster Embedding Approach for the Quantification and Analysis of Noncovalent Interactions: Exploring the Many-Body Expansion of the Local Coupled Cluster Energy
Author:
Affiliation:
1. Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, D-45470 Mülheim an der Ruhr, Germany
Funder
Max-Planck-Gesellschaft
Alexander von Humboldt-Stiftung
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00005
Reference90 articles.
1. Symmetry-adapted double-perturbation analysis of intramolecular correlation effects in weak intermolecular interactions
2. Many‐body symmetry‐adapted perturbation theory of intermolecular interactions. H2O and HF dimers
3. A coupled cluster treatment of intramonomer electron correlation within symmetry-adapted perturbation theory: benchmark calculations and a comparison with a density-functional theory description
4. Intermolecular forces from asymptotically corrected density functional description of monomers
5. First-order intermolecular interaction energies from Kohn–Sham orbitals
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