"Jim Kress" <dea### [at] kressworkscom> 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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