Kinetic energy densities based on the fourth order gradient expansion: performance in different classes of materials and improvementviamachine learning
Author:
Affiliation:
1. Department of Mechanical Engineering
2. National University of Singapore
3. Singapore 117576
Abstract
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.
Funder
Ministry of Education - Singapore
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2019/CP/C8CP06433D
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