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Beyond histograms: efficiently estimating radial distribution functions via spectral Monte Carlo
Despite more than 40 years of research in condensed-matter physics, state-of-the-art approaches for simulating the radial distribution function (RDF) g(r) still rely on binning pair-separations into a histogram. Such methods suffer from undesirable properties, including subjectivity, high uncertaint...
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| Publicado no: | J Chem Phys |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8260057/ https://ncbi.nlm.nih.gov/pubmed/34234386 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4977516 |
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