1D scattering: Taylor expansion

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Discussion Overview

The discussion revolves around the Taylor expansion of a specific equation from an arxiv paper related to 1D scattering in quantum mechanics. Participants are trying to understand how to perform the Taylor expansion on the term involving the ratio of kappa and k, and how this affects the integral representation of R. The focus is on the mathematical reasoning behind the expansion and its implications for the results presented in the paper.

Discussion Character

  • Technical explanation
  • Mathematical reasoning
  • Debate/contested

Main Points Raised

  • One participant seeks clarification on how the Taylor expansion is performed on the term involving ##(\frac{k - \kappa}{k + \kappa})^2## and suggests that it may involve expanding up to second order in ##k - k_0## before integration.
  • Another participant proposes changing ##\kappa## to ##y## and reformulating the expression for R, indicating that they are trying to evaluate the integral with respect to a new variable.
  • Concerns are raised about the validity of the second term in the expansion, with one participant arguing that it does not need to take the second order form of ##(k_o - \gamma_o)## and questioning the presence of higher powers of ##\gamma_o## in the denominator.
  • Clarifications are requested regarding the rationale behind certain algebraic manipulations, particularly the assumption that ##\kappa## can be treated as a constant during the integration process.
  • Participants discuss the implications of the Gaussian peak and the limits of integration, noting that the narrow Gaussian allows for certain approximations in the Taylor expansion.

Areas of Agreement / Disagreement

Participants express differing views on the correct approach to the Taylor expansion and the treatment of the terms involved. There is no consensus on the validity of the second term or the assumptions made regarding ##\kappa## and ##\gamma##. The discussion remains unresolved with multiple competing interpretations of the mathematical steps involved.

Contextual Notes

Participants note that the relationship between ##k## and ##\kappa## is not straightforward, and there are unresolved assumptions regarding the behavior of these variables in the context of the Taylor expansion and the integral evaluation.

WWCY
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Hi all, I'm having a problem understanding a step in an arxiv paper (https://arxiv.org/pdf/0808.3566.pdf) and would like a bit of help.

In equation (29) the authors have
$$R = \frac{\sigma}{\sqrt{\pi}} \int dk \ e^{-(k - k_0)^2 \sigma^2} \ \Big( \frac{ k - \kappa}{ k+ \kappa} \Big)^2$$
where the ##k##-space peak is sharp about ##k_0##

They then state that "we can Taylor expand the complicating factors about ##k = k_0## to get a series of standard integrals", and wrote the result as
$$R \approx \Big( \frac{k_0 - \kappa _0}{k_0 + \kappa _0} \Big)^2 + \Big( \frac{2 k_0}{\kappa _0 ^3 } + \frac{8}{\kappa _0 ^2} \Big) \Big( \frac{k_0 - \kappa _0}{k_0 + \kappa _0} \Big)^2 \frac{1}{\sigma ^2}$$

How did they perform the taylor expansion and on which term? My guess is that they expanded something up to second order in ##k - k_0## before integrating but I can't figure out how they did it. Assistance is greatly appreciated!
 
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In the ## (\frac{k-\kappa}{k+\kappa})^2 ## let's change ## \kappa ## to ##y ##.
Then ##R=R(y) ##, and we are actually finding ##R(y_o) ##.
I haven't solved it exactly yet, but we now have, with a little algebra and letting ## y=y_o ##,
##(\frac{k-y}{k+y})^2= (\frac{k-k_o+k_o-y_o}{k-k_o+k_o+y_o})^2 ##.
Now change ## k-k_o ## to ## x ## everywhere, including in the ## e^{-(k-k_o)^2 \sigma^2} ##.
Then we have the factor on the exponential is ## (\frac{x+A}{x+B})^2 ## where ## A=k_o-y_o ## and ## B=k_o+y_o ##.
Let ## f(x)=(\frac{x+A}{x+B})^2 ##, and ## f(x)=f(0)+f'(0)x+f''(0) \frac{x^2}{2} +... ## where ## x ## is small.
Then we have ## R(y_o)=\frac{\sigma}{\sqrt{\pi}} \int\limits_{-\infty}^{+\infty} e^{-x^2 \sigma^2} f(x) \, dx ##.
The ## x ## (middle) term integrates to ## 0 ## because ## x ## is odd.
## f(0)=(\frac{A}{B})^2 ## and the integral is normalized to unity.
It remains to compute ## f''(0) ## correctly, and evaluate ##I= \int\limits_{-\infty}^{+\infty} x^2 e^{-x^2 \sigma^2} \, dx ##.
It integrates by parts, and I think it gives ##I= \frac{\sqrt{\pi}}{2 \sigma^3}##.
I haven't gotten complete agreement yet with the textbook, but it's looking similar to what they have, and with a careful evaluation of ## f''(0) ## the results might agree.## \\ ## Edit: I get the ## \sigma^2 ## in the denominator like they do in the second term of the expression for ## R(\gamma_o) ##,(and that is the key term because ## \sigma ## is large in the numerator of the Gaussian, making for a narrow peak, (usually ## \sigma^2 ## is in the denominator of the exponential) , but so far I don't agree with the rest of what they have.
 
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In general ## k_o \neq \gamma_o ## so I don't think the second term needs to have the second order form of ## (k_o-\gamma_o) ## . (I've substituted ## \gamma ## for ## \kappa ##). Perhaps I'm expanding it a different way, but I could not duplicate the form that they have.## \\ ## In addition, I do not get ## \gamma_o^2 ## or higher power in the denominator of the second term. Instead, I get a ## \gamma_o ## in the numerator. As ## \gamma_o \rightarrow 0 ##, I think their expression incorrectly diverges. The peak is at ## k=k_o ##, but I don't see any restriction on ## \gamma ## (= ## \kappa##).
 
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Hi @Charles Link , thanks for your assistance, I will try to work through and understand your work!

Edit: I have just realized that I have completely failed to mention that ##\kappa = \sqrt{k^2 + \frac{2mV_0}{\hbar ^2} }##

Sincerest apologies if I have wasted your efforts!
 
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WWCY said:
Hi @Charles Link , thanks for your assistance, I will try to work through and understand your work!

Edit: I have just realized that I have completely failed to mention that ##\kappa = \sqrt{k^2 + \frac{2mV_0}{\hbar ^2} }##

Sincerest apologies if I have wasted your efforts!
This last part is extra info and not needed to do this calculation. What it says is that in general, ## k \neq \kappa ##.
 
Charles Link said:
This last part is extra info and not needed to do this calculation. What it says is that in general, ## k \neq \kappa ##.
In this case I'm not sure I understand the rationale behind ##(\frac{k-y}{k+y})^2= (\frac{k-k_o+k_o-y_o}{k-k_o+k_o+y_o})^2## and ##(\frac{x+A}{x+B})^2##, ##A=k_o-y_o, \ B=k_o+y_o##. Integrating over these functions already seems to assume that ##\kappa = y## is a constant, and not a function of ##k##.

Do you mind elaborating? Thanks.
 
Yes. That is correct: ## R=R(y) ##, and we are really interested in solving for ## R(y_o) ##. That makes ## \kappa=y_o ## is a constant, and the expansion in the first equation after "rationale behind" is just some algebra to simplify the function.
Since in the narrow Gaussian we have ## e^{-\sigma^2 (k-ko)^2 }##, we can do a change of variable and let ## x=k-k_o ##. That gives ## dk=dx ##. Meanwhile the limits of integration are still ## -\infty ## to ## +\infty ##.
[i.e. To a good approximation, since ## k ## in actuality does not become negative, but for mathematical simplicity we let ##k ## go to ## -\infty ##] ,

The algebra could be done simply by letting ## k=x+k_o ## instead of putting ## -k_o+k_o ## in both the numerator and denominator.
The narrow Gaussian peaks at ## x=0 ##, so the other term, (## (\frac{x+A}{x+B})^2 ##), requires a Taylor expansion about ## x=0 ##. You should be able to Taylor expand ##f(x)=(\frac{x+A}{x+B})^2 ## about ## x=0 ## , if your calculus is reasonably good.
 
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