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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...
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| Hauptverfasser: | , |
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| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
American Institute of Physics
2011
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| 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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