Publication Cover
Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 114, 2016 - Issue 7-8: Special Issue in honour of Andreas Savin
76
Views
0
CrossRef citations to date
0
Altmetric
Development and Application of Electronic-Structure Methods

A charge granularity correction to electrostatic self-energies of planar charge distributionsFootnote1

&
Pages 921-927 | Received 29 May 2015, Accepted 21 Oct 2015, Published online: 10 Dec 2015
 

ABSTRACT

The cohesive (or Madelung) energy Ecoh of N unit charges constitutes the charge granularity correction to the electrostatic self-energy of a continuous density ρ(r) that ensues at the N → ∞ limit. A rigorous upper bound to Ecoh is derived for charges in a planar arrangement. It is given by a functional dependent on the density itself and an auxiliary quantity that is a solution of an eikonal equation involving ρ(r). For densities constant along one direction or possessing radial symmetry, it reduces to an expression of the local-density type.

GRAPHICAL ABSTRACT

Acknowledgements

The authors acknowledge valuable comments from Prof. Paola Gori-Giorgi.

Disclosure statement

No potential conflict of interest was reported by the authors.

Notes

1 Dedicated to Professor Andreas Savin on the occasion of his 65th birthday.

Additional information

Funding

This work was supported by NCN (Poland) [grant number DEC-2012/07/B/ST4/00553].

Log in via your institution

Log in to Taylor & Francis Online

PDF download + Online access

  • 48 hours access to article PDF & online version
  • Article PDF can be downloaded
  • Article PDF can be printed
USD 61.00 Add to cart

Issue Purchase

  • 30 days online access to complete issue
  • Article PDFs can be downloaded
  • Article PDFs can be printed
USD 886.00 Add to cart

* Local tax will be added as applicable

Related Research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.