Employing Range Separation on the meta-GGA Rung: New Functional Suitable for Both Covalent and 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
Ministerstwo Nauki i Szkolnictwa Wyzszego
Fundacja na rzecz Nauki Polskiej
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00406
Reference90 articles.
1. Density‐functional thermochemistry. III. The role of exact exchange
2. A new mixing of Hartree–Fock and local density‐functional theories
3. Perspective: Fifty years of density-functional theory in chemical physics
4. Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physics
5. Importance of short-range versus long-range Hartree-Fock exchange for the performance of hybrid density functionals
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