Machine Learning Density Functionals from the Random-Phase Approximation-Reference-Cited by-同舟云学术

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Machine Learning Density Functionals from the Random-Phase Approximation

Published:2023-10-06 Issue:20 Volume:19 Page:7287-7299
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Riemelmoser Stefan¹²^ORCID,Verdi Carla¹³⁴,Kaltak Merzuk⁵,Kresse Georg¹⁵

Affiliation:

1. Faculty of Physics and Center for Computational Materials Science, University of Vienna, Kolingasse 14-16, A-1090 Vienna, Austria

2. Vienna Doctoral School in Physics, University of Vienna, Boltzmanngasse 5, A-1090 Vienna, Austria

3. School of Physics, The University of Sydney, Sydney, New South Wales 2006, Australia

4. School of Mathematics and Physics, The University of Queensland, Brisbane, Queensland 4072, Australia

5. VASP Software GmbH, Sensengasse 8/12, A-1090 Vienna, Austria

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00848

Reference112 articles.

1. Perspective on density functional theory

2. Density functional theory is straying from the path toward the exact functional

3. Inhomogeneous Electron Gas

4. Nobel Lecture: Electronic structure of matter—wave functions and density functionals

5. Self-Consistent Equations Including Exchange and Correlation Effects

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1. Training Machine-Learned Density Functionals on Band Gaps;Journal of Chemical Theory and Computation;2024-08-23

2. Nonlocal machine-learned exchange functional for molecules and solids;Physical Review B;2024-08-15

3. Validation of the GreenX library time-frequency component for efficient GW and RPA calculations;Physical Review B;2024-06-03

4. Self‐Consistent Convolutional Density Functional Approximations: Application to Adsorption at Metal Surfaces;ChemPhysChem;2024-05-06

5. Machine learning for accuracy in density functional approximations;Journal of Computational Chemistry;2024-04-26

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