Kinetic energy densities based on the fourth order gradient expansion: performance in different classes of materials and improvement via machine learning

Phys. Chem. Chem. Phys., 2019, Advance Article DOI: 10.1039/C8CP06433D, PaperPavlo Golub, Sergei Manzhos We study the performance of fourth-order gradient expansions of the kinetic energy density (KED) in semi-local kinetic energy functionals depending on the density-dependent variables. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry
Source: RSC - Phys. Chem. Chem. Phys. latest articles - Category: Chemistry Authors: Source Type: research