The Hypernetted Chain Equations for Periodic Systems

Starting from the general inhomogeneous Fermi hypernetted chain equations, the equations for periodic systems are derived by simple Fourier transform. It is shown how the symmetry reduces the size of the involved quantities. First results for a one-dimensional (1D) model system are presented. The re...

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Detalles Bibliográficos
Autor principal: Panholzer, Martin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer US 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5415589/
https://www.ncbi.nlm.nih.gov/pubmed/28529380
http://dx.doi.org/10.1007/s10909-017-1771-5
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author Panholzer, Martin
author_facet Panholzer, Martin
author_sort Panholzer, Martin
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description Starting from the general inhomogeneous Fermi hypernetted chain equations, the equations for periodic systems are derived by simple Fourier transform. It is shown how the symmetry reduces the size of the involved quantities. First results for a one-dimensional (1D) model system are presented. The results allow a reliable estimation of the numerical demand even for realistic 3D systems, such as solids. It is shown that treatment of this systems is feasible with moderate computational resources.
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spelling pubmed-54155892017-05-19 The Hypernetted Chain Equations for Periodic Systems Panholzer, Martin J Low Temp Phys Article Starting from the general inhomogeneous Fermi hypernetted chain equations, the equations for periodic systems are derived by simple Fourier transform. It is shown how the symmetry reduces the size of the involved quantities. First results for a one-dimensional (1D) model system are presented. The results allow a reliable estimation of the numerical demand even for realistic 3D systems, such as solids. It is shown that treatment of this systems is feasible with moderate computational resources. Springer US 2017-03-20 2017 /pmc/articles/PMC5415589/ /pubmed/28529380 http://dx.doi.org/10.1007/s10909-017-1771-5 Text en © The Author(s) 2017 Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made.
spellingShingle Article
Panholzer, Martin
The Hypernetted Chain Equations for Periodic Systems
title The Hypernetted Chain Equations for Periodic Systems
title_full The Hypernetted Chain Equations for Periodic Systems
title_fullStr The Hypernetted Chain Equations for Periodic Systems
title_full_unstemmed The Hypernetted Chain Equations for Periodic Systems
title_short The Hypernetted Chain Equations for Periodic Systems
title_sort hypernetted chain equations for periodic systems
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5415589/
https://www.ncbi.nlm.nih.gov/pubmed/28529380
http://dx.doi.org/10.1007/s10909-017-1771-5
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