---
res:
  bibo_abstract:
  - An important quantity in liquid state theory is the radial distribution function
    g(r). It can be calculated within the framework of classical density functional
    theory in two very distinct ways. In the test-particle route, one fixes a single
    fluid particle, turning it into an external potential in which the inhomogeneous
    structure of the fluid is calculated by minimizing the functional. The second
    route to g(r) in density functional theory employs the Ornstein–Zernike equation
    and the pair direct correlation function, that can be obtained from the second
    functional derivatives of the excess (over the ideal gas) free energy functional.
    Since typically an approximate excess free energy functional is employed, the
    test-particle route, which requires only one functional derivative, is more accurate
    than the Ornstein–Zernike route. Here we study a two-dimensional core-shoulder
    particle system and find that in some circumstances the results from the Ornstein–Zernike
    route can be comparable in accuracy to the test-particle results for r > σ, the
    core diameter. We also examine in detail the asymptotic r → ∞ decay of g(r), finding
    a variety of possible decay wavelengths at different state points and state points
    where there is a crossover from one wavelength to a very different one. This behavior
    is a signature pointing to the rich phase behavior of the incipient solid phases.@eng
  bibo_authorlist:
  - foaf_Person:
      foaf_givenName: Michael
      foaf_name: Wassermair, Michael
      foaf_surname: Wassermair
      foaf_workInfoHomepage: http://www.librecat.org/personId=23d132c4-4e98-11ef-b275-9e8d4cd8c917
    orcid: 0009-0003-6339-4051
  - foaf_Person:
      foaf_givenName: Gerhard
      foaf_name: Kahl, Gerhard
      foaf_surname: Kahl
  - foaf_Person:
      foaf_givenName: Andrew J.
      foaf_name: Archer, Andrew J.
      foaf_surname: Archer
  - foaf_Person:
      foaf_givenName: Roland
      foaf_name: Roth, Roland
      foaf_surname: Roth
  bibo_doi: 10.1021/acs.jpcb.6c00653
  bibo_issue: '33'
  bibo_volume: 130
  dct_date: 2026^xs_gYear
  dct_isPartOf:
  - http://id.crossref.org/issn/1520-6106
  - http://id.crossref.org/issn/1520-5207
  dct_language: eng
  dct_publisher: American Chemical Society@
  dct_title: Radial distribution function in a two-dimensional core-shoulder particle
    system@
  fabio_hasPubmedId: '42622279'
...