Gaussian Processes for Finite Size Extrapolation of Many-Body Simulations

Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00051J, Paper
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Creative Commons Licence  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Edgar Josue Landinez-Borda, Kenneth O. Berard, Annette Lopez, Brenda M Rubenstein
Key to being able to accurately model the properties of realistic materials is being able to predict their properties in the thermodynamic limit. Nevertheless, because most many-body electronic structure methods...
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