Periodic Coupled-Cluster Green’s Function for Photoemission Spectra of Realistic Solids
Author:
Affiliation:
1. Department of Chemistry, Yale University, New Haven, Connecticut 06520, United States
2. Department of Chemistry, University of California, Irvine, Irvine, California 92697, United States
Funder
Yale University
Division of Graduate Education
Publisher
American Chemical Society (ACS)
Subject
General Materials Science,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.2c02534
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1. Self-Consistent Equations Including Exchange and Correlation Effects
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3. Physical Content of the Exact Kohn-Sham Orbital Energies: Band Gaps and Derivative Discontinuities
4. Understanding band gaps of solids in generalized Kohn–Sham theory
5. New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem
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