Coupled Cluster Molecular Dynamics of Condensed Phase Systems Enabled by Machine Learning Potentials: Liquid Water Benchmark
Author:
Funder
Deutsche Forschungsgemeinschaft
Germany’s Excellence Strategy
Publisher
American Physical Society (APS)
Subject
General Physics and Astronomy
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevLett.129.226001/fulltext
Reference97 articles.
1. Many-fermion theory in expS- (or coupled cluster) form
2. The Coupled Cluster Method
3. Coupled-cluster theory in quantum chemistry
4. Ground-State Properties of Crystalline Ice from Periodic Hartree-Fock Calculations and a Coupled-Cluster-Based Many-Body Decomposition of the Correlation Energy
5. Towards an exact description of electronic wavefunctions in real solids
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