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...
Na minha lista:
| Principais autores: | , , |
|---|---|
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
EDP Sciences
2023-01-01
|
| coleção: | EPJ Web of Conferences |
| Acesso em linha: | https://www.epj-conferences.org/articles/epjconf/pdf/2023/10/epjconf_nd2023_17006.pdf |
| Tags: |
Sem tags, seja o primeiro a adicionar uma tag!
|