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Exchange-Correlation Energy Densities and Response Potentials: Connection between Two Definitions and Analytical Model for the Strong-Coupling Limit of a Stretched Bond
[Image: see text] We analyze in depth two widely used definitions (from the theory of conditional probability amplitudes and from the adiabatic connection formalism) of the exchange-correlation energy density and of the response potential of Kohn–Sham density functional theory. We introduce a local...
Gardado en:
| Publicado en: | J Phys Chem A |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
American Chemical
Society
2020
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| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7104238/ https://ncbi.nlm.nih.gov/pubmed/32118422 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpca.9b10538 |
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