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...

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Detalles Bibliográficos
Autores principales: Amovilli, Claudio, Floris, Franca Maria
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
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

Internet

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

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