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"Jim Kress" <dea### [at] kressworks com> wrote in message
news:3b3633de$1@news.povray.org...
> This image depicts a 2D slice of the electron density contained within a
3D
> view of the crystal lattice. So the atoms if particular interest are the
> ones that are present in the plane of the slice. The others are there
just
> to provide a crystal lattice frame of reference.
I see, at least I sort of knew that much.
> The density color map is red, orange, yellow, green, blue, indigo, violet
> where the lowest electron density regions are red, the highest are violet.
> White is the region of no density. Electron density is concentrated
around
> atoms and between atoms that are chemically bonded to each other. Thus
the
> yellow/green areas are bonded electron density, the blue are regions of
> atomic density.
Figured on that as well.
> The brown atoms are silicon. The reason they don't have
blue/indigo/violet
> color near them (i.e. the core density) is because the particular Quantum
> Mechanical method I used to calculate the electron density approximates
the
> core density and thus it does not explicitly show up on these electron
> density images. The gray atoms are hydrogen atoms which do not use that
> approximation and thus their core density appears here.
Thanks, explanation enough for me even if I don't understand it 100%. :-)
Bob H.
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