Robust All-Electron Optimization in Orbital-Free Density-Functional Theory Using the Trust-Region Image Method
Author:
Affiliation:
1. School of Chemistry, University of Nottingham, University Park, Nottingham, NG7 2RD, U.K.
2. Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, University of Oslo, P.O. Box 1033 Blindern, N-0315 Oslo, Norway
Funder
Engineering and Physical Sciences Research Council
Norges Forskningsr?d
H2020 European Research Council
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.0c09502
Reference90 articles.
1. Self-Consistent Equations Including Exchange and Correlation Effects
2. Perspective on density functional theory
3. Challenges for Density Functional Theory
4. Perspective: Fifty years of density-functional theory in chemical physics
5. Density functional theory: Its origins, rise to prominence, and future
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