| A periodic charge-dipole electrostatic model: Parametrization for silver slabs. | |
| | |
MedLine Citation:
|
PMID: 23039605 Owner: NLM Status: In-Data-Review |
Abstract/OtherAbstract:
|
We present an extension of the charge-dipole model for the description of periodic systems. This periodic charge-dipole electrostatic model (PCDEM) allows one to describe the linear response of periodic structures in terms of charge- and dipole-type Gaussian basis functions. The long-range electrostatic interaction is efficiently described by means of the continuous fast multipole method. As a first application, the PCDEM method is applied to describe the polarizability of silver slabs. We find that for a correct description of the polarizability of the slabs both charges and dipoles are required. However a continuum set of parametrizations, i.e., different values of the width of charge- and dipole-type Gaussians, leads to an equivalent and accurate description of the slabs polarizability but a completely unphysical description of induced charge-density inside the slab. We introduced the integral squared density measure which allows one to obtain a unique parametrization which accurately describes both the polarizability and the induced density profile inside the slab. Finally the limits of the electrostatic approximations are also pointed out. |
| | |
Authors:
|
I V Bodrenko; M Sierka; E Fabiano; F Della Sala |
Related Documents
:
|
23202065 - Dispersion irrelevant wideband asymmetric transmission in dielectric photonic crystal g... 22998115 - A theory for the morphological dependence of wetting on a physically-patterned solid su... 23004375 - Hexagonal-close-packed lattice: ground state and phase transition. 23572585 - Turbulent shear spurs settlement in larval sea urchins. 18530725 - Detection of elastic and optical contrasts in tissue mimicking phantoms based on the in... 19508055 - Hybrid particle-field molecular dynamics simulations for dense polymer systems. |
Publication Detail:
|
Type: Journal Article |
Journal Detail:
|
Title: The Journal of chemical physics Volume: 137 ISSN: 1089-7690 ISO Abbreviation: J Chem Phys Publication Date: 2012 Oct |
Date Detail:
|
Created Date: 2012-10-08 Completed Date: - Revised Date: - |
Medline Journal Info:
|
Nlm Unique ID: 0375360 Medline TA: J Chem Phys Country: United States |
Other Details:
|
Languages: eng Pagination: 134702 Citation Subset: IM |
Affiliation:
|
National Nanotechnology Laboratory (NNL), Istituto Nanoscienze-CNR, Via per Arnesano 16, 73100 Lecce, Italy. |
Export Citation:
|
APA/MLA Format Download EndNote Download BibTex |
| MeSH Terms | |
Descriptor/Qualifier:
|
|
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
Previous Document: The influence of potassium on the growth of ultra-thin films of para-hexaphenyl on muscovite mica(00...
Next Document: Adsorption studies of C(6)H(6) on Cu (111), Ag (111), and Au (111) within dispersion corrected densi...