Visualization of electronic density

Bastien Grosso, Valentino R. Cooper, Polina Pine, Adham Hashibon, Yuval Yaish, Joan Adler

Research output: Contribution to journalArticlepeer-review


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.

Original languageEnglish
Pages (from-to)1-13
Number of pages13
JournalComputer Physics Communications
StatePublished - 1 Oct 2015


  • Electronic charge density
  • Nanotube
  • Visualization

All Science Journal Classification (ASJC) codes

  • Hardware and Architecture
  • General Physics and Astronomy


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