Why Does My Kohn Effect Derivation Differ from Ziman's Model?

In summary, the Kohn Effect, also known as the Kohn-Sham effect, is a phenomenon in quantum mechanics that separates the total energy of a many-body system into kinetic and potential energy terms. It was first proposed by Walter Kohn, a Nobel Prize-winning physicist, in 1964, and is based on the concept of density functional theory. The Kohn Effect has many applications in the field of quantum mechanics, particularly in the study of electronic structures of atoms, molecules, and solids, and is also used in materials science and computational chemistry. However, it has limitations such as only being applicable to systems at equilibrium and not considering the effects of electron correlation.
  • #1
LucidLunatic
3
0
I'm working through a derivation of the [Kohn Effect](http://en.wikipedia.org/wiki/Kohn_effect), as presented in Ziman's 'Principles of the Theory of Solids.' However, I find myself getting a somewhat different result. The book states that calculating

$$\epsilon(\mathbf{q}, \omega) = 1+ \frac{4\pi e^2}{q^2}\sum_{\mathbf{k}} \frac{f_0(\mathbf{k})-f_0(\mathbf{k+q})}{E_{k+q}-E_{k}-\hbar\omega + i\hbar\alpha}$$

at zero temperature (and $\omega = 0$) grants

$$\epsilon(\mathbf{q}, 0) = 1+\frac{4\pi e^2}{q^2}\frac{n}{\frac{2}{3}\mathcal{E}_F}[\frac{1}{2}+\frac{4k_F^2-q^2}{8k_Fq}\ln|{\frac{2k_F+q}{2k_F-q}}|]$$

Here is my work:
$$\epsilon(\mathbf{q}, 0) = 1+ \frac{4\pi e^2}{\frac{\hbar^2q^2}{2m}}\sum_{\mathbf{k}} \frac{f_0(\mathbf{k})-f_0(\mathbf{k+q})}{2\mathbf{k\cdot q}+q^2}$$

$$\epsilon(\mathbf{q}, 0) = 1+ \frac{4\pi e^2}{\frac{\hbar^2q^2}{2m}}\sum_{\mathbf{k}}[ \frac{f_0(\mathbf{k}))}{2\mathbf{k\cdot q}+q^2}- \frac{f_0(\mathbf{k+q})}{2\mathbf{k\cdot q}+q^2} ]$$

We may exchange ##\sum_\mathbf{k} = \frac{1}{(2\pi)^3}\int\,d^3\mathbf{k}##

##\epsilon(\mathbf{q}, 0) = 1+ \frac{4\pi e^2}{\frac{\hbar^2q^2}{2m}}\frac{1}{(2\pi)^3}[ \int\,d^3k\frac{f_0(\mathbf{k}))}{2\mathbf{k\cdot q}+q^2}- \int\,d^3k\frac{f_0(\mathbf{k+q})}{2\mathbf{k\cdot q}+q^2} ]##
Given the fact that ##f_0(\mathbf{k})## is zero outside the Fermi sphere, and one inside it allows us to select bounds on the integrals. For the second integral, a change of variables to ##u = k+q## allows us to center the Fermi sphere.
##\epsilon(\mathbf{q}, 0) = 1+ \frac{4\pi e^2}{\frac{\hbar^2q^2}{2m}}\frac{1}{(2\pi)^3}[\int_0^{2\pi}\int_0^\pi\int_0^{k_F}\,k^2\sin\theta\,d\phi\,d\theta\,dk\frac{f_0(\mathbf{k}))}{2\mathbf{k\cdot q}+q^2}-\int_0^{2\pi}\int_0^\pi\int_0^{k_F}\,u^2\sin\theta\,d\phi\,d\theta\,du\frac{f_0(\mathbf{u})}{2\mathbf{(u-q)\cdot q}+q^2} ]##

##\epsilon(\mathbf{q}, 0) = 1+ \frac{4\pi e^2}{\frac{\hbar^2q^2}{2m}}\frac{1}{(2\pi)^3}[ \int_0^{2\pi}\int_0^\pi\int_0^{k_F}\,k^2\sin\theta\,d\phi\,d\theta\,dk\frac{1}{2\mathbf{k\cdot q}+q^2}-\int_0^{2\pi}\int_0^\pi\int_0^{k_F}\,u^2\sin\theta\,d\phi\,d\theta\,du\frac{1}{2\mathbf{(u\cdot q}-q^2} ]##

If we relabel our dummy integration variable ##u## as ##k##, we may combine back into a single integral
$$\epsilon(\mathbf{q}, 0) = 1+ \frac{4\pi e^2}{\frac{\hbar^2q^2}{2m}}\frac{1}{(2\pi)^3}\int_0^{2\pi}\int_0^\pi\int_0^{k_F}\,k^2\sin\theta\,d\phi\,d\theta\,dk[\frac{1}{2\mathbf{k\cdot q}+q^2}-\frac{1}{2\mathbf{k\cdot q}-q^2} ]$$

We may select our coordinate system so that ##\mathbf{q}## lies along the ##z## axis.

##\epsilon(\mathbf{q}, 0) = 1+ \frac{4\pi e^2}{\frac{\hbar^2q^2}{2m}}A\int_0^{2\pi}\int_0^\pi\int_0^{k_F}\,k^2\sin\theta\,d\phi\,d\theta\,dk[\frac{1}{2kq\cos\theta+q^2}-\frac{1}{2kq\cos\theta-q^2} ]##
##\epsilon(\mathbf{q}, 0) = 1+ \frac{4\pi e^2}{\frac{\hbar^2q^2}{2m}}\frac{1}{(2\pi)^3}\int_0^{2\pi}\int_0^\pi\int_0^{k_F}\,k^2\sin\theta\,d\phi\,d\theta\,dk[\frac{2kq\cos\theta-q^2}{(2kq\cos\theta)^2-q^4}-\frac{2kq\cos\theta+q^2}{(2kq\cos\theta)^2)-q^4} ]##
##\epsilon(\mathbf{q}, 0) = 1+ \frac{4\pi e^2}{\frac{\hbar^2q^2}{2m}}\frac{1}{(2\pi)^3}\int_0^{2\pi}\int_0^\pi\int_0^{k_F}\,k^2\sin\theta\,d\phi\,d\theta\,dk[\frac{-2q^2}{(2kq\cos\theta)^2-q^4} ]##
##\epsilon(\mathbf{q}, 0) = 1- \frac{8\pi e^2}{\frac{\hbar^2q^2}{2m}}\frac{1}{(2\pi)^3}\int_0^{2\pi}\int_0^\pi\int_0^{k_F}\,\,d\phi\,d\theta\,dk[\frac{k^2\sin\theta}{(2k\cos\theta)^2-q^2} ]##
##\epsilon(\mathbf{q}, 0) = 1+ \frac{16\pi^2 e^2}{\frac{\hbar^2q^2}{2m}}\frac{1}{(2\pi)^3}\int_1^{-1}\int_0^{k_F}\,d\cos\theta\,dk[\frac{k^2}{(2k\cos\theta)^2-q^2} ]##
##\epsilon(\mathbf{q}, 0) = 1+ \frac{16\pi^2 e^2}{\frac{\hbar^2q^2}{2m}}\frac{1}{(2\pi)^3}\int_1^{-1}\int_0^{k_F}\,d\cos\theta\,dk[\frac{k^2}{(2k\cos\theta)^2-q^2} ]##
##\epsilon(\mathbf{q}, 0) = 1+ \frac{16\pi^2 e^2}{\frac{\hbar^2q^2}{2m}}\frac{1}{(2\pi)^3}\int_0^{k_F}\,dk[\frac{k(\tanh^{-1}(\frac{2k}{q})- \tanh^{-1}(\frac{-2k}{q})}{2q} ]##
Since ##\tanh^{-1}(x) = \frac{1}{2}[\ln(1+x)-\ln(1-x)]##
##\epsilon(\mathbf{q}, 0) = 1+ \frac{8\pi^2 e^2}{\frac{\hbar^2q^2}{2m}}\frac{1}{(2\pi)^3}\int_0^{k_F}\,dk[\frac{k(\ln(\frac{q+2k}{q-2k}- \ln(\frac{q-2k}{q+2k})}{q} ]##
##\epsilon(\mathbf{q}, 0) = 1+ \frac{8\pi^2 e^2}{\frac{\hbar^2q^2}{2m}}\frac{1}{(2\pi)^3}\int_0^{k_F}\,dk[\frac{k\ln(\frac{q+2k}{q-2k})^2}{q} ]##
##\epsilon(\mathbf{q}, 0) = 1+ \frac{4\pi^2 e^2}{\frac{\hbar^2q^2}{2m}}\frac{1}{(2\pi)^3}\int_0^{k_F}\,dk[\frac{k\ln(\frac{q+2k}{q-2k})}{q} ]\\

\epsilon(\mathbf{q}, 0) = 1+ \frac{4\pi^2 e^2}{\frac{\hbar^2q^2}{2m}}\frac{1}{(2\pi)^3}[\frac{2k_Fq+(4k_F^2-q^2)\ln|\frac{q+2k}{q-2k}|}{8q} ]##

Which holds similarities to the desired answer, but both the factor in front of and the first term of the integral are incorrect.
 
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  • #2

Thank you for sharing your work on the derivation of the Kohn Effect. I have reviewed your calculations and I believe I have found the error in your derivation.

In your third step, you have incorrectly exchanged the sum over k with the integral. This is not valid because the sum is over a discrete set of k values, while the integral is over a continuous range of k values. This means that the sum and integral cannot be simply interchanged.

To correct this, you will need to use the Riemann sum approximation to convert the sum into an integral. This will result in a different factor in front of the integral, which should lead to the correct result.

I hope this helps in resolving the discrepancy in your derivation. Keep up the good work!
 

1. What is the Kohn Effect?

The Kohn Effect, also known as the Kohn-Sham effect, is a phenomenon in quantum mechanics that describes the separation of the total energy of a many-body system into kinetic and potential energy terms.

2. Who discovered the Kohn Effect?

The Kohn Effect was first proposed by Walter Kohn, a Nobel Prize-winning physicist, in 1964. He developed the concept as a way to simplify the calculations of the electronic structure of atoms, molecules, and solids.

3. How does the Kohn Effect work?

The Kohn Effect is based on the concept of density functional theory (DFT), which states that the electronic structure of a system can be described by the electron density instead of individual electron wavefunctions. The Kohn Effect separates the total energy of a system into kinetic and potential energy terms, using the electron density as a starting point.

4. What are the applications of the Kohn Effect?

The Kohn Effect has many applications in the field of quantum mechanics, particularly in the study of electronic structures of atoms, molecules, and solids. It is also widely used in materials science and computational chemistry to predict and understand the properties and behaviors of materials.

5. What are the limitations of the Kohn Effect?

While the Kohn Effect has proven to be a useful and powerful tool in the field of quantum mechanics, it is not without its limitations. One of the main limitations is that it is only applicable to systems at equilibrium. Additionally, it does not take into account the effects of electron correlation, which can be significant in some systems.

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