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Studies on the Transcorrelated Method
[Image: see text] We investigate the possibility of using a transcorrelated (TC) Hamiltonian to describe electron correlation. A method to obtain TC wavefunctions was developed based on the mathematical framework of the bi-variational principle. This involves the construction of an effective TC Hami...
| 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/PMC10500994/ https://www.ncbi.nlm.nih.gov/pubmed/37640393 http://dx.doi.org/10.1021/acs.jctc.3c00046 |