Question on integration, in the Hartree-Fock theory for free electron gas.

Click For Summary

Discussion Overview

The discussion revolves around the integration involved in the Hartree-Fock theory for a free electron gas, specifically focusing on a particular integral that participants are attempting to solve. The scope includes mathematical reasoning and technical explanations related to the integration process and the manipulation of vector quantities in spherical coordinates.

Discussion Character

  • Technical explanation
  • Mathematical reasoning

Main Points Raised

  • One participant presents an integral related to Hartree-Fock theory and expresses difficulty in solving it, particularly with the term involving the distance between vectors.
  • Another participant suggests changing the integral to spherical coordinates and provides a method to express the dot product of vectors in terms of the angle between them.
  • A later reply acknowledges a mistake in the initial formulation of the denominator and corrects it, clarifying the expression for the distance between the vectors.
  • Participants discuss the implications of the corrections and the integration process without reaching a consensus on the final solution.

Areas of Agreement / Disagreement

Participants generally agree on the method of changing to spherical coordinates and the importance of correctly defining the terms involved. However, there is no consensus on the final integration result or the implications of the corrections made during the discussion.

Contextual Notes

There are unresolved aspects regarding the integration process and the assumptions made in the manipulation of vector quantities. The discussion reflects ongoing exploration rather than a definitive conclusion.

leoneri
Messages
19
Reaction score
0
Hi all,

I am trying to learn Hartree-Fock theory on free electron gas. But I am stumbled on one integration that I cannot seem to figure out. Here is the integral:

\int_{k'<k_{F}}\frac{d\textbf{k}'}{(2\pi)^3}\frac{4\pi e^2}{\left|\textbf{k}-\textbf{k}'\right|^2}

I cannot figure out on how the solution becomes like this:

\frac{2 e^2}{\pi} k_{F} F\left(\frac{k}{k_{F}}\right)

where

F(x)=\frac{1}{2}+\frac{1-x^2}{4x}ln\left|\frac{1+x}{1-x}\right|

Well, up to this point, I know that I can change the coordinate system to spherical. So I can change

\int_{k'<k_{F}}d\textbf{k}'

to

\int^{k_{F}}_{0}}4\pi k'^2 dk'

but I am hopeless with this component.

\frac{1}{\left|\textbf{k}-\textbf{k}'\right|^2}

I learn that I can change the latter into

\frac{1}{\left|\textbf{k}-\textbf{k}'\right|^2}=\frac{1}{k \sqrt{1+k'^2/k^2-2\textbf{k}.\textbf{k}'/k^2}}

But what should I do with the \textbf{k}.\textbf{k}' part? Because I want to turn all these vectors into scalars, so I can integrate them. Or is there other way to change \frac{1}{\left|\textbf{k}-\textbf{k}'\right|^2} to spherical cordinate system that make it to scalar?

Any help, advice, or suggestion will be very much appreciated. Thanks in advance.
 
Physics news on Phys.org
Going one step back, you can change the integral to
<br /> \int_0^{2\pi} d\phi \int_{0}^\pi \sin\theta d\theta \int^{k_{F}}_{0}} (k&#039;)^2 dk&#039;<br />
Now let's choose the orientation of the axes such that theta denotes the angle between k and k'.
Carrying out the phi integral gives a factor of 2pi, and
k . k' = k k' cos(theta).

Thus,
<br /> \frac{1}{\left|\textbf{k}-\textbf{k}&#039;\right|^2}=\frac{1}{k \sqrt{1+k&#039;^2/k^2-2\textbf{k}.\textbf{k}&#039;/k^2}} = \frac{1}{\sqrt{k^2 + k&#039;^2 + k k&#039; \cos\theta}}<br />

Now let x = cos(theta) and try to carry out the integral :)
 
Hi thanks a lot. I've done the integral, and I also found a mistake that I made. The procedure you told me is right, but my first inception of the definition is wrong, it should be like this:

<br /> \frac{1}{\left|\textbf{k}-\textbf{k}&#039;\right|}=\frac{1}{k \sqrt{1+k&#039;^2/k^2-2\textbf{k}.\textbf{k}&#039;/k^2}} = \frac{1}{\sqrt{k^2 + k&#039;^2 + k k&#039; \cos\theta}}<br />

so without the square on the \frac{1}{\left|\textbf{k}-\textbf{k}&#039;\right|} denominator.

Thanks again.
 
Whoops, sorry, I also overlooked that.
Of course |v|2 = v . v and the norm |v| of v is the square root of that.
 

Similar threads

  • · Replies 3 ·
Replies
3
Views
2K
  • · Replies 1 ·
Replies
1
Views
3K
  • · Replies 5 ·
Replies
5
Views
3K
  • · Replies 3 ·
Replies
3
Views
4K
  • · Replies 0 ·
Replies
0
Views
2K
  • · Replies 1 ·
Replies
1
Views
2K
  • · Replies 7 ·
Replies
7
Views
3K
  • · Replies 2 ·
Replies
2
Views
3K
  • · Replies 2 ·
Replies
2
Views
1K
  • · Replies 5 ·
Replies
5
Views
3K