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Projection-Based Density Matrix Renormalization Group in Density Functional Theory Embedding
[Image: see text] The density matrix renormalization group (DMRG) method has already proved itself as a very efficient and accurate computational method, which can treat large active spaces and capture the major part of strong correlation. Its application on larger molecules is, however, limited by...
| 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/PMC10017021/ https://www.ncbi.nlm.nih.gov/pubmed/36648273 http://dx.doi.org/10.1021/acs.jpclett.2c03298 |