Generation of thermal neutron scattering libraries for liquid para-hydrogen and ortho-deuterium using ring-polymer molecular dynamics
In this paper we present results of combining ring-polymer molecular dynamics with the LEAPR and THEMR modules of NJOY to generate thermal neutron scattering libraries for liquid para-hydrogen and ortho-deuterium. We present the methodology and show that it produces results that are in good agreemen...
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| Главные авторы: | , , |
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| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
EDP Sciences
2023-01-01
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| Серии: | EPJ Web of Conferences |
| Online-ссылка: | https://www.epj-conferences.org/articles/epjconf/pdf/2023/10/epjconf_nd2023_17006.pdf |
| Метки: |
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