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Atomic Electronic Structure Calculations with Hermite Interpolating Polynomials
[Image: see text] We have recently described the implementation of atomic electronic structure calculations within the finite element method with numerical radial basis functions of the form χ(μ)(r) = r(–1)B(μ)(r), where high-order Lagrange interpolating polynomials (LIPs) were used as the shape fun...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10184118/ https://www.ncbi.nlm.nih.gov/pubmed/37129275 http://dx.doi.org/10.1021/acs.jpca.3c00729 |