MBD + C: How to Incorporate Metallic Character into Atom-Based Dispersion Energy Schemes
Author:
Affiliation:
1. School of Environment and Science, Griffith University, Nathan, Queensland 4111, Australia
2. Dipartimento di Fisica e Astronomia, Università degli Studi di Padova, via Marzolo 8, Padova 35131, Italy
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00353
Reference29 articles.
1. Accurate and Efficient Method for Many-Body van der Waals Interactions
2. Long-range correlation energy calculated from coupled atomic response functions
3. Interatomic methods for the dispersion energy derived from the adiabatic connection fluctuation-dissipation theorem
4. A Fractionally Ionic Approach to Polarizability and van der Waals Many-Body Dispersion Calculations
5. uMBD: A Materials-Ready Dispersion Correction That Uniformly Treats Metallic, Ionic, and van der Waals Bonding
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