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Symmetry-Adapted Perturbation Theory Based on Multiconfigurational Wave Function Description of Monomers
[Image: see text] We present a formulation of the multiconfigurational (MC) wave function symmetry-adapted perturbation theory (SAPT). The method is applicable to noncovalent interactions between monomers which require a multiconfigurational description, in particular when the interacting system is...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8444344/ https://www.ncbi.nlm.nih.gov/pubmed/34517707 http://dx.doi.org/10.1021/acs.jctc.1c00344 |