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Method to Compute the Solute–Solvent Dispersion Contribution to the Electronic Excitation Energy in Solution
[Image: see text] A method formulated within the polarizable continuum model of the solvent and a quantum Monte Carlo treatment of the electronic states of the solute molecule is presented for the calculation of the solute–solvent dispersion contribution to the electronic excitation energy in soluti...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9648189/ https://www.ncbi.nlm.nih.gov/pubmed/36191136 http://dx.doi.org/10.1021/acs.jctc.2c00652 |