Questions tagged [fourier-transform]
For questions related to the Fourier Transform.
8 questions
5 votes
0 answers
49 views
Fourier transform expression of the coulomb interaction between the sheets(graphene)
Do you know any expression which can present the Fourier form of coulomb interaction between two graphene sheets separated by vacuum (as the figure above)? Here S(w) is the transmission equation. ...
- 51
3 votes
0 answers
133 views
Obtaining RDF from provided structure factor
I have a test structure factor dataset from water O-O pairs and I am trying to get the $g_{OO}(r)$. ...
- 2,412
1 vote
0 answers
73 views
Question on possible cancellations in the computation of Dyson orbitals from FCC/FCI wavefunctions [closed]
Dyson orbitals are mathematically meaningful, in the sense that they, unlike the DFT orbitals for instance, are actual observables of the wavefunction, instead of being "the other way around"...
- 890
3 votes
1 answer
73 views
Does the accuracy of RI-MP2 follow the higher number of zetas of the main and fitting bases?
It has been answered to my previous question that RI-MP2/cc-pVTZ/cc-pVTZ gives results of the same quality as MP2/cc-pVTZ. I then started to think about RI-MP2/cc-pVTZ/cc-pVQZ. The term "basis ...
- 890
9 votes
1 answer
4k views
How to calculate a structure factor from a radial distribution function?
I have been trying to take an FFT of the radial distribution function to calculate a structure factor. My understanding is this is the same as the regular FFT from the time to frequency domain. The ...
user2026
10 votes
1 answer
302 views
What is the physical meaning of the q in Fourier transforms of correlation functions?
While studying polymer dynamics, one comes across a wide range of correlation functions. A lot of times, we are interested in the Fourier transforms of these functions, as the FT allows us to solve ...
- 4,221
11 votes
0 answers
184 views
How to solve general wave equation and dispersion relation using Fourier series? [closed]
In this paper (open access), the authors used Fourier series with most general wave equation to find the dispersion relation. I am presenting some main equations as snippets to depict their solution. ...
- 751
17 votes
1 answer
210 views
What kind of information can be extracted from alloy microstructure images converted to Fourier space?
I have some alloy microstructure images, showing elongated grains (darker colours) and the grain boundaries (lighter colours). If I take the Fourier transform of the image, there are directional bands ...
- 661