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Lower Bounds for Coulombic Systems
[Image: see text] As of the writing of this paper, lower bounds are not a staple of quantum chemistry computations and for good reason. All previous attempts at applying lower bound theory to Coulombic systems led to lower bounds whose quality was inferior to the Ritz upper bounds so that their adde...
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| Udgivet i: | J Chem Theory Comput |
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| Main Authors: | , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
American
Chemical Society
2021
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| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8028053/ https://ncbi.nlm.nih.gov/pubmed/33635636 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.0c01301 |
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