Range-Separated meta-GGA Functional Designed for Noncovalent Interactions
Author:
Affiliation:
1. Faculty of Chemistry, University of Warsaw, 02-093 Warsaw, Pasteura 1, Poland
2. Department of Chemistry, Oakland University, Rochester, Michigan 48309-4477, United States
Funder
Division of Chemistry
Foundation For Polish Science
Ministerstwo Nauki i Szkolnictwa Wyzszego
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct500707w
Reference62 articles.
1. Density-functional approaches to noncovalent interactions: A comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM) theory, and specialized functionals
2. Communication: Density functional theory overcomes the failure of predicting intermolecular interaction energies
3. A first-principles-based correlation functional for harmonious connection of short-range correlation and long-range dispersion
4. Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
5. Improved Description of Stereoelectronic Effects in Hydrocarbons Using Semilocal Density Functional Theory
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