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Modified Interaction-Strength Interpolation Method as an Important Step toward Self-Consistent Calculations
[Image: see text] The modified point charge plus continuum (mPC) model [ L. A. Constantin; Phys. Rev. B2019, 99, 085117] solves the important failures of the original counterpart, namely, the divergences when the reduced gradient of the density is large, such as in the tail of the density and in qua...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7588043/ https://www.ncbi.nlm.nih.gov/pubmed/32559078 http://dx.doi.org/10.1021/acs.jctc.0c00328 |