Single Excitation Energies Obtained from the Ensemble “HOMO–LUMO Gap”: Exact Results and Approximations
Author:
Affiliation:
1. Queensland Micro- and Nanotechnology Centre, Griffith University, Nathan, QLD 4111, Australia
2. Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Rehovoth 76100, Israel
Funder
Australian Research Council
Publisher
American Chemical Society (ACS)
Subject
General Materials Science,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.2c00042
Reference69 articles.
1. Inhomogeneous Electron Gas
2. Self-Consistent Equations Including Exchange and Correlation Effects
3. Perspective on 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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