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Computer Physics Communications
Article
License: Elsevier Non-Commercial
Data sources: UnpayWall
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Computer Physics Communications
Article . 2015
License: Elsevier Non-Commercial
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Computer Physics Communications
Article . 2015 . Peer-reviewed
License: Elsevier TDM
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Visualization of electronic density

Authors: Adham Hashibon; Valentino R. Cooper; Yuval Yaish; Polina Pine; Bastien Grosso; Bastien Grosso; Joan Adler;

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. (C) 2015 Elsevier B.V. All rights reserved.

Keywords

Hardware and Architecture, Physics and Astronomy(all)

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    8
    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    Average
    influence
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    Top 10%
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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citations
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
8
Average
Top 10%
Top 10%
hybrid