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In a physics paper (pubs.acs.org/doi/10.1021/j100210a011), I see the following transformation:

$$\sum_q \frac{2[1-\cos(\textbf{q} \cdot \textbf{r})]}{q^2} =\frac{1}{\pi} \int_0^{+\infty}[1-J_0(qr)]\frac{dq}{q}$$

in which $\textbf{q}$ is a wave vector (spatial frequencies in 2D), $\textbf{r}$ is a 2D position vector on an undulating surface, and $J_0$ is the Bessel function of the first kind. $q$ is the magnitude of the wave vector and $r$ is the magnitude of the position vector.

I do not understand how it is possible to derive such an equation. Does someone have a clue? How does this Bessel function appear? Why is there a $\pi$ on the right hand side? Also there seems to be an inconsistency in dimension as the left hand side has the dimension of squared distance whereas the right hand side has no dimension.

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  • $\begingroup$ When you ask a question about something you saw in a paper, it would be useful to give a link to the paper. As it is, I don't think it's possible to answer your question because of missing context. For example, what is the set of ${\bf q}$ you're summing over on the left hand side? Presumably, these are the discrete momenta resulting from some finite position space domain - but what are its boundary conditions? $\endgroup$ Commented Jan 4, 2022 at 15:46
  • $\begingroup$ Hi, sorry I thought that the paper itself would be irrelevant. The paper is: pubs.acs.org/doi/10.1021/j100210a011 And for sure it's a wave number (per meter). It comes from a Fourier transform. $\endgroup$
    – Glxblt76
    Commented Jan 4, 2022 at 16:01

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So this is a bit of physics notation. The sum over wave vectors is short hand for an integral over $n$-dimensional reciprocal space, $$\sum_{\mathbf{q}}\mapsto \int\frac{d^n \mathbf{q}}{(2\pi)^n}.$$ Then the integral follows for $n=2$, in polar coordinates, $$(2\pi)^{-2}\int_0^\infty qdq\int_0^{2\pi}d\phi \, \frac{2[1-\cos(qr\cos\phi)]}{q^2} =\int_{0}^{\infty}[1-J_0(qr)]\frac{dq}{\pi q}.$$

Now the OP refers to a 3D integral, rather than a 2D integral, but that cannot be correct, for $n=3$ the answer would be $$(2\pi)^{-3}\int_0^\infty q^2dq\int_0^{2\pi}d\phi\int_0^\pi\sin\theta d\theta \, \frac{2[1-\cos(qr\cos\theta)]}{q^2}=\int_0^\infty \left(1-\frac{\sin q r}{q r}\right)\,\frac{dq}{\pi^2}.$$

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  • $\begingroup$ Actually you are correct, in the paper "q" refers to a wave number on the surface and "r" refers to a position on the surface, so they are 2D vectors. I need to meditate a bit on your answer as I'm not familiar with integrals in radial coordinates and therefore even reading it does not immediately clarify it to me. But this does seem to be the answer i'm looking for :) $\endgroup$
    – Glxblt76
    Commented Jan 4, 2022 at 17:01
  • $\begingroup$ Actually I have a little question: could you expand a little on the integral representation of the Bessel function you are using? On Wikipedia I see that the function in the integral is cos(-qr sin(theta)) rather than cos(qr cos(theta)) EDIT: On this website dlmf.nist.gov/10.9 I discover that we can both use sin and cos, now I'm confused. And the upper limit here is pi and not 2pi. $\endgroup$
    – Glxblt76
    Commented Jan 4, 2022 at 17:21
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    $\begingroup$ $\int_0^\pi \cos(a\cos\phi)\,d\phi=\int_0^\pi \cos(a\sin\phi)\,d\phi=\pi J_0(|a|)$, extending the upper limit to $2\pi$ is just another factor of two. $\endgroup$ Commented Jan 4, 2022 at 17:34
  • $\begingroup$ Isn't the integral in your reply having a $\pi$ upper limit rather than a $2\pi$? EDIT: the above reply addresses it $\endgroup$
    – Glxblt76
    Commented Jan 4, 2022 at 17:35
  • $\begingroup$ It pretty much works in 3D as well, you just swap capital $J$ for lower case $j$ (cum grano salis) :-D $\endgroup$ Commented Jan 4, 2022 at 19:21

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