Cancellation of terms, Kittel (first edition) equation 6.4

  • Thread starter Thread starter Irishdoug
  • Start date Start date
  • Tags Tags
    Terms
Irishdoug
Messages
102
Reaction score
16
Homework Statement
I am self studying and cannot understand a cancellation of terms that occurs in the text.
Relevant Equations
In thermal equilibrium at temperature T, with N particles all of mass N, the internal energy is equal to the kinetic energy i.e. U = E

$$E = \frac{1}{2M} \sum_{i=1}^{N} (p_{xi}^{2} + p_{yi}^{2} + p_{zi}^{2})$$

$$E_{average} = U = \frac{\frac{1}{2M} \sum_{\alpha = 1}^{3N} p_{\alpha}^{2} \int_{-\infty}^{\infty} \Pi_{\beta = 1}^{3N} e^{\frac{-p_{\beta}^{2}}{2M k_{b}T} }dp}{\int_{-\infty}^{\infty} \Pi_{\beta = 1}^{3N} e^{\frac{-p_{\beta}^{2}}{2M k_{b}T} }dp}$$

as we know from classical physics that the average value of a quantity A in thermal equilibrium is

$$A_{average} = \frac{A(p,q) \int_{-\infty}^{\infty} e^{\frac{-E}{k_{b}T} }dpdq} {\int_{-\infty}^{\infty} e^{\frac{-E}{k_{b}T} }dpdq}$$
I'm happy I understand why the dq terms cancel out. So,

$$E_{average} = U = \frac{\frac{1}{2M} \sum_{\alpha = 1}^{3N} p_{\alpha}^{2} \int_{-\infty}^{\infty} \Pi_{\beta = 1}^{3N} e^{\frac{-p_{\beta}^{2}}{2M k_{b}T} }dp}{\int_{-\infty}^{\infty} \Pi_{\beta = 1}^{3N} e^{\frac{-p_{\beta}^{2}}{2M k_{b}T} }dp}$$

This term reduces to

$$E_{average} = U = \frac{\frac{1}{2M} \int_{-\infty}^{\infty} p_{\alpha}^{2} e^{\frac{-p_{\alpha}^{2}}{2M k_{b}T}} dp_{\alpha}} {\int_{-\infty}^{\infty} e^{\frac{-p_{\alpha}^{2}}{2M k_{b}T}} dp_{\alpha}}$$

I do not see how this occurs. I have attempted to play around with the exponentials e.g. using ##e^{a-b} = \frac{e^{a}}{e^{b}}## but here I am left with ##e^{0}##. I have also explicitedly written out the summation and multiplication but it does not seem to help.

Any help or tips appreciated.
 
Last edited:
Physics news on Phys.org
Irishdoug said:
Homework Statement:: I am self studying and cannot understand a cancellation of terms that occurs in the text.
Relevant Equations:: In thermal equilibrium at temperature T, with N particles all of mass N, the internal energy is equal to the kinetic energy i.e. U = E
No help so far, so I'll give it a first shot (don't have the full answer - can't find your source; 1st ed ? Thermal physics, or solid state physics?)

You really want to be as accurate as possible when doing things like this, so check what you wrote. You mean
temperature ##T##, with ##N## particles all of mass ##\bf M##.
$$E = \frac{1}{2M} \sum_{i=1}^{N} (p_{xi}^{2} + p_{yi}^{2} + p_{zi}^{2}) \tag 1 $$
So this is the total energy for ##N## particles in three dimensions. Is that what you meant ? Otherwise a 'small' correction is needed (##\frac 1 N##) .
$$E_{average} = U = \frac{\frac{1}{2M} \sum_{\alpha = 1}^{3N} p_{\alpha}^{2} \int_{-\infty}^{\infty} \Pi_{\beta = 1}^{3N} e^{\frac{-p_{\beta}^{2}}{2M k_{b}T} }dp}{\int_{-\infty}^{\infty} \Pi_{\beta = 1}^{3N} e^{\frac{-p_{\beta}^{2}}{2M k_{b}T} }dp}$$
No, that can't be the case, because
as we know from classical physics that the average value of a quantity A in thermal equilibrium is
$$A_{average} =
\frac{A(p,q) \int_{-\infty}^{\infty} e^{\frac{-E}{k_{b}T} }dpdq}
{\int_{-\infty}^{\infty} e^{\frac{-E}{k_{b}T} }dpdq}
$$
is incorrect. Do you mean$$
A_{average} =
\frac{\int_{-\infty}^{\infty} A(p,q) \ e^{-\frac{E}{kT} }dp\,dq}
{\int_{-\infty}^{\infty} e^{-\frac{E}{kT} }dp\,dq}\quad ?$$

I'm happy I understand why the dq terms cancel out.
Good. We note that ##dp\,dq## is shorthand for ##\ d^{3N}p\, d^{3N}q\ ## and the ##(p, q)## in ##A(p, q)## is shorthand for ##(p_1, \ldots, p_{3N},\,q_1, \ldots ,q_{3N})\ ## and, if ##A(p,q) = A(p)## , the integrations over ##dq_i## can be taken out and integrated (namely to what value ?), and then the factors in numerator and denominator cancel.

So, you want to look at $$
E_{average} =
\frac{{\displaystyle \int_{-\infty}^{\infty}} E \ e^{-\frac{E}{kT} }dp\,dq}
{{\displaystyle \int_{-\infty}^{\infty}} e^{-\frac{E}{kT} }dp\,dq}$$
with ##E## as in ##(1)##, independent of ##q##. We've seen we can drop the ##q##.

With an eye on the next equation it looks as if the expectation value of the sum is the sum of the expectation values. Is that a reasonable phrasing of your problem ? i.e. swapping the ##\sum## and the ##\int## ?

##\ ##
 
Hi BvU. Thankyou for the response. I'm using Kittel's solid state book. Sorry I thought he only had that one. And yes I have the first edition (and the 7th!). I feel from a cursory glance he goes through the maths in a more understandable way in the first, at least in some sections. I am busy today so will get back to going through your response in more detail later, where I may or may not have more questions.

'No, that can't be the case, because'

Yes that was an error I meant to write what you wrote!

Thanks again.
 
BvU said:
No help so far, so I'll give it a first shot (don't have the full answer - can't find your source; 1st ed ? Thermal physics, or solid state physics?)

You really want to be as accurate as possible when doing things like this, so check what you wrote. You mean
temperature ##T##, with ##N## particles all of mass ##\bf M##.

So this is the total energy for ##N## particles in three dimensions. Is that what you meant ? Otherwise a 'small' correction is needed (##\frac 1 N##) .

No, that can't be the case, because

is incorrect. Do you mean$$
A_{average} =
\frac{\int_{-\infty}^{\infty} A(p,q) \ e^{-\frac{E}{kT} }dp\,dq}
{\int_{-\infty}^{\infty} e^{-\frac{E}{kT} }dp\,dq}\quad ?$$Good. We note that ##dp\,dq## is shorthand for ##\ d^{3N}p\, d^{3N}q\ ## and the ##(p, q)## in ##A(p, q)## is shorthand for ##(p_1, \ldots, p_{3N},\,q_1, \ldots ,q_{3N})\ ## and, if ##A(p,q) = A(p)## , the integrations over ##dq_i## can be taken out and integrated (namely to what value ?), and then the factors in numerator and denominator cancel.

So, you want to look at $$
E_{average} =
\frac{{\displaystyle \int_{-\infty}^{\infty}} E \ e^{-\frac{E}{kT} }dp\,dq}
{{\displaystyle \int_{-\infty}^{\infty}} e^{-\frac{E}{kT} }dp\,dq}$$
with ##E## as in ##(1)##, independent of ##q##. We've seen we can drop the ##q##.

With an eye on the next equation it looks as if the expectation value of the sum is the sum of the expectation values. Is that a reasonable phrasing of your problem ? i.e. swapping the ##\sum## and the ##\int## ?

##\ ##

$$A_{average} =
\frac{\int_{-\infty}^{\infty} A(p,q) \ e^{-\frac{E}{kT} }dp\,dq}
{\int_{-\infty}^{\infty} e^{-\frac{E}{kT} }dp\,dq}\quad ?$$

Yes I meant this indeed.

So I'm viewing it as follows:

p = $$(p_{x1}, p_{y1}, p_{z1} ; p_{x2}, p_{y2}, p_{z2}... p_{xN}, p_{yN}, p_{zN})$$
so
dp = $$(dp_{x1}, dp_{y1}, dp_{z1} ; dp_{x2}, dp_{y2}, dp_{z2}... dp_{xN}, dp_{yN}, dp_dp_{zN})$$

Let's assume N = 1 and for ##alpha = 1## we have

$$ U = \frac{\frac{1}{2M} \int_{-\infty}^{+\infty} (p_{x1}^2 + p_{y1}^2 + p_{z1}^2) (e^{c p_{x1}^2}.e^{c p_{y1}^2}.e^{c p_{z1}^2}.e^{c p_{x2}^2}.e^{c p_{y2}^2}.e^{c p_{z2}^2}.e^{c p_{x3}^2}.e^{c p_{y3}^2}.e^{c p_{z3}^2}) dp_{x1}dp_{y1}dp_{z1}} {\int_{-\infty}^{+\infty} (e^{c p_{x1}^2}.e^{c p_{y1}^2}.e^{c p_{z1}^2}.e^{c p_{x2}^2}.e^{c p_{y2}^2}.e^{c p_{z2}^2}.e^{c p_{x3}^2}.e^{c p_{y3}^2}.e^{c p_{z3}^2} dp_{x1}dp_{y1}dp_{z1} }$$

where $$c = \frac{1}{2Mk_{B}T}$$. We can now split this into 3 different integrals e.g

I can't get this to format, but all the constant terms i.e those not dependent on ##dp_{x1}## come outside in the first integral, those that don't depend on ##dp_{x2}## come outside etc.The terms can be seen to cancel leaving
$$\frac{\int_{-\infty}^{\infty} p_{x1}^2 e^{c p_{x1}^2} dp_{x1}}{\int_{-\infty}^{\infty}e^{c p_{x1}^2} dp_{x1}} etc.$$

Does this sound reasonable?
the integrations over ##dq_i## can be taken out and integrated (namely to what value ?)

I'm thinking 0 but maybe this would cause the whole eqaution to be 0. I will have to think about it more!
 
Last edited:
Irishdoug said:
Does this sound reasonable?
I think that's the idea, yes.

Irishdoug said:
I'm thinking 0
Nope. ##\int_{q_{min}}^{q_{max}} {\rm dq}\ ## is simply ##{q_{max}}-{q_{min}} ## so the lot of them multiplied with each other give you a volume. Which cancels against idem in the denominator.Disclaimer: I'm a little out of my depth here - based on memories from student-times long ago. Perhaps @vanhees71 can shed some more didactically responsible light on this ... ?

##\ ##
 
BvU said:
I think that's the idea, yes.Nope. ##\int_{q_{min}}^{q_{max}} {\rm dq}\ ## is simply ##{q_{max}}-{q_{min}} ## so the lot of them multiplied with each other give you a volume. Which cancels against idem in the denominator.Disclaimer: I'm a little out of my depth here - based on memories from student-times long ago. Perhaps @vanhees71 can shed some more didactically responsible light on this ... ?

##\ ##
Well what you have said sounds more reasonable. The integral is given as ##\int_{\-infty}^{\infty}## which is why I said what I did.
 
##|\Psi|^2=\frac{1}{\sqrt{\pi b^2}}\exp(\frac{-(x-x_0)^2}{b^2}).## ##\braket{x}=\frac{1}{\sqrt{\pi b^2}}\int_{-\infty}^{\infty}dx\,x\exp(-\frac{(x-x_0)^2}{b^2}).## ##y=x-x_0 \quad x=y+x_0 \quad dy=dx.## The boundaries remain infinite, I believe. ##\frac{1}{\sqrt{\pi b^2}}\int_{-\infty}^{\infty}dy(y+x_0)\exp(\frac{-y^2}{b^2}).## ##\frac{2}{\sqrt{\pi b^2}}\int_0^{\infty}dy\,y\exp(\frac{-y^2}{b^2})+\frac{2x_0}{\sqrt{\pi b^2}}\int_0^{\infty}dy\,\exp(-\frac{y^2}{b^2}).## I then resolved the two...
It's given a gas of particles all identical which has T fixed and spin S. Let's ##g(\epsilon)## the density of orbital states and ##g(\epsilon) = g_0## for ##\forall \epsilon \in [\epsilon_0, \epsilon_1]##, zero otherwise. How to compute the number of accessible quantum states of one particle? This is my attempt, and I suspect that is not good. Let S=0 and then bosons in a system. Simply, if we have the density of orbitals we have to integrate ##g(\epsilon)## and we have...
Back
Top