Fundamental measure theory of inhomogeneous two-body correlation functions.
Journal
Physical review. E
ISSN: 2470-0053
Titre abrégé: Phys Rev E
Pays: United States
ID NLM: 101676019
Informations de publication
Date de publication:
Apr 2021
Apr 2021
Historique:
received:
22
01
2021
accepted:
25
02
2021
entrez:
19
5
2021
pubmed:
20
5
2021
medline:
20
5
2021
Statut:
ppublish
Résumé
For the three-dimensional hard-sphere model we investigate the inhomogeneous two-body correlations predicted by Rosenfeld's fundamental measure theory. For the special cases in which the density has either planar or spherical symmetry we provide analytic formulas for the Hankel and Legendre transforms, respectively, of the inhomogeneous two-body direct correlation function as explicit functionals of the density. When combined with the Ornstein-Zernike relation our analytical results allow for rapid calculation of inhomogeneous hard-sphere density correlations in real space. These not only provide information about the packing structures of the hard-sphere system but also form an essential building-block for constructing perturbation theories of more realistic models.
Identifiants
pubmed: 34005880
doi: 10.1103/PhysRevE.103.042103
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM