Speeding up GW Calculations to Meet the Challenge of Large Scale Quasiparticle Predictions

Although the GW approximation is recognized as one of the most accurate theories for predicting materials excited states properties, scaling up conventional GW calculations for large systems remains a major challenge. We present a powerful and simple-to-implement method that can drastically accelera...

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Detalles Bibliográficos
Autores principales: Gao, Weiwei, Xia, Weiyi, Gao, Xiang, Zhang, Peihong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2016
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5104980/
https://www.ncbi.nlm.nih.gov/pubmed/27833140
http://dx.doi.org/10.1038/srep36849

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5104980/
https://www.ncbi.nlm.nih.gov/pubmed/27833140
http://dx.doi.org/10.1038/srep36849

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