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Post-Kohn–Sham Random-Phase Approximation and Correction Terms in the Expectation-Value Coupled-Cluster Formulation
[Image: see text] Using expectation-value coupled-cluster theory and many-body perturbation theory (MBPT), we formulate a series of corrections to the post-Kohn–Sham (post-KS) random-phase approximation (RPA) energy. The beyond-RPA terms are of two types: those accounting for the non-Hartree–Fock re...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10569055/ https://www.ncbi.nlm.nih.gov/pubmed/37774375 http://dx.doi.org/10.1021/acs.jctc.3c00496 |