Application of XDM to ionic solids: The importance of dispersion for bulk moduli and crystal geometries
Author:
Affiliation:
1. Departamento de Química Física y Analítica and MALTA Consolider Team, Facultad de Química, Universidad de Oviedo, 33006 Oviedo, Spain
2. Department of Chemistry, Dalhousie University, 6274 Coburg Rd., Halifax, Nova Scotia B3H 4R2, Canada
Funder
Natural Sciences and Engineering Research Council of Canada
Spanish Government
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/5.0015133
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1. Noncovalent Interactions in Density Functional Theory
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4. Rocksalt or cesium chloride: Investigating the relative stability of the cesium halide structures with random phase approximation based methods
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