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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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Foilsithe in:J Chem Theory Comput
Main Authors: Pollak, Eli, Martinazzo, Rocco
Formáid: Artigo
Teanga:Inglês
Foilsithe: American Chemical Society 2021
Rochtain Ar Líne: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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