Predictive Mixing for Density Functional Theory (and Other Fixed-Point Problems)
Author:
Affiliation:
1. Department of Materials Science and Engineering Northwestern University Evanston, Illinois 60201, United States
Funder
Division of Materials Research
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00630
Reference132 articles.
1. Self-Consistent Equations Including Exchange and Correlation Effects
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3. Existence of minimizers for Kohn–Sham models in quantum chemistry
4. Guaranteed Convergence of the Kohn-Sham Equations
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