Accurate quantum-chemical fragmentation calculations for ion–water clusters with the density-based many-body expansion
Author:
Affiliation:
1. Technische Universität Braunschweig, Institute of Physical and Theoretical Chemistry, Gaußstraße 17, 38106 Braunschweig, Germany
Abstract
Funder
Deutsche Forschungsgemeinschaft
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2023/CP/D2CP04539G
Reference73 articles.
1. How Water’s Properties Are Encoded in Its Molecular Structure and Energies
2. Dynamics of Water Interacting with Interfaces, Molecules, and Ions.
3. Proton transfer through the water gossamer
4. Nuclear quantum effects and hydrogen bond fluctuations in water
5. Water—The Most Anomalous Liquid
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1. Analysis of two overlapping fragmentation approaches in density matrix construction: GMBE-DM vs. ADMA;Physical Chemistry Chemical Physics;2024
2. Coupled-Cluster Density-Based Many-Body Expansion;The Journal of Physical Chemistry A;2023-10-23
3. An accurate and efficient fragmentation approach via the generalized many-body expansion for density matrices;The Journal of Chemical Physics;2023-08-18
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