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Lower Bounds for Nonrelativistic Atomic Energies
[Image: see text] A recently developed lower bound theory for Coulombic problems (E. Pollak, R. Martinazzo, J. Chem. Theory Comput.2021, 17, 1535) is further developed and applied to the highly accurate calculation of the ground-state energy of two- (He, Li(+), and H(–)) and three- (Li) electron ato...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8796283/ https://www.ncbi.nlm.nih.gov/pubmed/35098243 http://dx.doi.org/10.1021/acsphyschemau.1c00018 |