7 votes

How to calculate a structure factor from a radial distribution function?

Without data to test exactly what you are doing it's difficult to say for absolute certain, but it looks to me that your main problem is that your first equation, the equation you are using for your ...
Ian Bush's user avatar
  • 775
4 votes

What is the physical meaning of the q in Fourier transforms of correlation functions?

Based on your previous questions, I assume this equation was from Section 1.2.1 of Doi's Polymer Physics. While Doi doesn't explicitly state this anywhere that I can find, $\mathbf{q}$ is the label he ...
Tyberius's user avatar
  • 15.5k
3 votes

Does the accuracy of RI-MP2 follow the higher number of zetas of the main and fitting bases?

The term "basis set" literally comes from Fourier analysis in mathematics, and in Fourier analysis the "errors" systematically "cancel out", for example when integrating ...
Susi Lehtola's user avatar
  • 19.1k
3 votes

What kind of information can be extracted from alloy microstructure images converted to Fourier space?

General Info As far as I understand you're taking a Fourier Transform of an image. In your case, that image corresponds to that of a microstructure alloy. So basically in 2D-Fourier transforms we are ...
Anoop A Nair's user avatar
  • 4,476

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