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Density-functional expansion methods: Generalization of the auxiliary basis

The formulation of density-functional expansion methods is extended to treat the second and higher-order terms involving the response density and spin densities with an arbitrary single-center auxiliary basis. The two-center atomic orbital products are represented by the auxiliary functions centered...

Ausführliche Beschreibung

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Bibliographische Detailangaben
Hauptverfasser: Giese, Timothy J., York, Darrin M.
Format: Artigo
Sprache:Inglês
Veröffentlicht: American Institute of Physics 2011
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC3113327/
https://ncbi.nlm.nih.gov/pubmed/21599040
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3587052
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