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Dispersion Energy from the Time-Independent Coupled-Cluster Polarization Propagator
[Image: see text] We present a new method of calculation of the dispersion energy in the second-order symmetry-adapted perturbation theory. Using the Longuet-Higgins integral and time-independent coupled-cluster response theory, one shows that the general expression for the dispersion energy can be...
| 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/PMC9979596/ https://www.ncbi.nlm.nih.gov/pubmed/36734970 http://dx.doi.org/10.1021/acs.jctc.2c00902 |