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Low-Order Scaling G(0)W(0) by Pair Atomic Density Fitting

[Image: see text] We derive a low-scaling G(0)W(0) algorithm for molecules using pair atomic density fitting (PADF) and an imaginary time representation of the Green’s function and describe its implementation in the Slater type orbital (STO)-based Amsterdam density functional (ADF) electronic struct...

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Detalles Bibliográficos
Autores principales: Förster, Arno, Visscher, Lucas
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7726916/
https://www.ncbi.nlm.nih.gov/pubmed/33174743
http://dx.doi.org/10.1021/acs.jctc.0c00693