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Re: [ESPResSo] Structure Factor
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From: |
Axel Arnold |
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Subject: |
Re: [ESPResSo] Structure Factor |
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Date: |
Fri, 30 Jul 2010 17:49:55 +0200 |
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User-agent: |
KMail/1.10.3 (Linux/2.6.27.45-0.1-default; KDE/4.1.3; x86_64; ; ) |
On Thursday 29 July 2010 21:38:04 Mikheil Azatov wrote:
> Hi,
>
> When Espresso calculates the structure factor is the radius of the
> particles somehow taken into account or it's simply Fourier transform of
> the delta-scatterers with the stregth equal to mass ( I mean mass of the
> particle * delta function at the center of the particle) ?
Both no. The structure factor is the Fourier transform of delta scatterers at
all particle positions, no mass involved. That is, the structure factor is the
Fourier transform of the radial distribution function.
Axel
--
JP Dr. Axel Arnold Tel: +49 711 685 67609
ICP, Universität Stuttgart Email: address@hidden
Pfaffenwaldring 27
70569 Stuttgart, Germany