Empirical van der Waals corrections to solid-state density functional theory: Iodine and phosphorous containing molecular crystals
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.22994/fullpdf
Reference54 articles.
1. Accurate description of van der Waals complexes by density functional theory including empirical corrections
2. Semiempirical GGA-type density functional constructed with a long-range dispersion correction
3. Energy Ranking of Molecular Crystals Using Density Functional Theory Calculations and an Empirical van der Waals Correction
4. Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set
5. Ab initiomolecular dynamics for liquid metals
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