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2015
Journal Article
Title

Visualization of electronic density

Abstract
The spatial volume occupied by an atom depends on its electronic density. Although this density can only be evaluated exactly for hydrogen-like atoms, there are many excellent algorithms and packages to calculate it numerically for other materials. Three-dimensional visualization of charge density is challenging, especially when several molecular/atomic levels are intertwined in space. In this paper, we explore several approaches to this, including the extension of an anaglyphic stereo visualization application based on the AViz package for hydrogen atoms and simple molecules to larger structures such as nanotubes. We will describe motivations and potential applications of these tools for answering interesting physical questions about nanotube properties.
Author(s)
Grosso, B.
Cooper, V.R.
Pine, P.
Hashibon, A.
Yaish, Y.
Adler, J.
Journal
Computer physics communications  
Project(s)
SimPhoNy  
Funder
European Commission EC  
Open Access
DOI
10.1016/j.cpc.2015.04.003
Additional full text version
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Language
English
Fraunhofer-Institut für Werkstoffmechanik IWM  
Keyword(s)
  • visualization

  • electronic charge density

  • nanotube

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