Toward Pair Atomic Density Fitting for Correlation Energies with Benchmark Accuracy

[Image: see text] Pair atomic density fitting (PADF) has been identified as a promising strategy to reduce the scaling with system size of quantum chemical methods for the calculation of the correlation energy like the direct random-phase approximation (RPA) or second-order Møller–Plesset perturbati...

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Detalles Bibliográficos
Autores principales: Spadetto, Edoardo, Philipsen, Pier Herman Theodoor, Förster, Arno, Visscher, Lucas
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10018742/
https://www.ncbi.nlm.nih.gov/pubmed/36787494
http://dx.doi.org/10.1021/acs.jctc.2c01201

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10018742/
https://www.ncbi.nlm.nih.gov/pubmed/36787494
http://dx.doi.org/10.1021/acs.jctc.2c01201

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