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G25.2651: Statistical Mechanics

Final Exam

Instructions: This is a take-home exam, hence lecture notes are permitted, however, books, journal articles, etc. are not! Partial credit will be given, so be sure to show ALL your work. The exam is due Monday, May 8.

1.
(25 pts)
Consider a system of N negatively charged spin-1/2 fermions in an external magnetic field tex2html_wrap_inline181 , i.e., pointing along the positive z direction. Each particle carries a charge -q (q>0), however, assume that Coulomb interactions between the particles can be neglected. Thus, the Hamiltonian for the system is

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where c is the speed of light and tex2html_wrap_inline191 is called the vector potential. tex2html_wrap_inline193 is related to the magnetic field tex2html_wrap_inline195 by

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One possible choice for tex2html_wrap_inline193 is

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a.
(6 pts)
The particles occupy a cubic box of side L with periodic boundary conditions. Find the energy levels of the system.

Hint: Show that the Schrödinger equation tex2html_wrap_inline201 is separable and derive the single-particle wave equation. Try a solution to the single-particle equation of the form

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and show that tex2html_wrap_inline203 satisfies a harmonic oscillator equation with frequency tex2html_wrap_inline205 and equilibrium position tex2html_wrap_inline207 . Assume L is much larger than the range of tex2html_wrap_inline211 .

b.
(6 pts)
Calculate the grand canonical partition function, tex2html_wrap_inline213 in the high temperature ( tex2html_wrap_inline215 ) and thermodynamic limits. Note, in this limit, it is sufficient to work to first order in the fugacity, tex2html_wrap_inline217 . WARNING!! Beware of degeneracies in the energy levels besides the spin degeneracy.

c.
(5 pts)
The magnetic susceptibility per unit volume is defined by

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where tex2html_wrap_inline219 is the average induced magnetization per unit volume along the direction of the magnetic field and is given by

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Calculate tex2html_wrap_inline219 and tex2html_wrap_inline223 for this system. Curie's Law for the magnetic susceptibility states that tex2html_wrap_inline225 . Is your result in accordance with Curie's Law? If not, explain why it should not be.

d.
(8 pts)
If the fermions are replaced by Boltzmann particles, does the resulting susceptibility still accord with Curie's Law?

Hint: Consider using the canonical ensemble in this case.

2.
(25 pts)
Consider the free rotational motion of a rigid heteronuclear diatomic molecule of (fixed) bond length R and moment of inertia tex2html_wrap_inline229 , where tex2html_wrap_inline231 is the reduced mass, about an axis through its center of mass perpendicular to the internuclear bond axis. The molecule is constrained to rotate in the x-y plane only. One of the atoms carries a charge q and the other a charge -q.
a.
(4 pts)
Ignoring center of mass motion, write down the Hamiltonian, tex2html_wrap_inline241 for the molecule.

b.
(6 pts)
Find the eigenvalues and eigenvectors of tex2html_wrap_inline241 .

c.
(2 pts)
If the molecule is exposed to spatially homogeneous, monochromatic radiation with an electric field tex2html_wrap_inline245 given by

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write down the perturbation Hamiltonian tex2html_wrap_inline247 .

d.
(8 pts)
Calculate the energy spectrum tex2html_wrap_inline249 for tex2html_wrap_inline251 . Interpret your results, and in particular, explain how the allowed absorptions and emissions are manifest in your final expression. Plot the absorption part of your spectrum. Where do you expect the peak intensity to occur?

Hint: Consider using a convergence factor, tex2html_wrap_inline253 , and let tex2html_wrap_inline255 to go 0 at the end of the calculation.

e.
(5 pts )
Based on your results from parts (a)-(d), plot the spectrum 3-dimensional rigid rotor, for which the energy eigenvalues are tex2html_wrap_inline257 and m=-l,...,l is the quantum number for the z-component of angular momentum. Where do you expect the peak intensity to occur in the 3-dimensional case?

3.
(25 pts)
a.
(10 pts)
Use mean field theory to calculate the critical temperature and critical exponents tex2html_wrap_inline263 , tex2html_wrap_inline265 , tex2html_wrap_inline267 and tex2html_wrap_inline269 for the spin-1 Ising model, for which the spin variables tex2html_wrap_inline271 can take on the values 0, tex2html_wrap_inline273 1.

b.
(15 pts)
For the spin- tex2html_wrap_inline275 Ising model in one dimension with h=0, recall that the partition function could be expressed in the form

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Consider a RG transformation, called the pair cell transformation, in which tex2html_wrap_inline279 is re-expressed as

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The transfer matrix is redefined by tex2html_wrap_inline281 . Find the RG equation corresponding to this transformation and show that it leads to the expected stable fixed point.

Hint: Try redefining the coupling constant by tex2html_wrap_inline283 and show that tex2html_wrap_inline285 can be put in the same form as tex2html_wrap_inline287 , i.e., tex2html_wrap_inline289 and that c can be defined implicitly in terms of u'.

4.
(25 pts)
Consider a system of two particles in one dimension with coordinates x and y such that the Hamiltonian takes the form

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Suppose that M;SPMgt;;SPMgt;m so that the motion of the y particle is very slow compared to x and that the temperature is high enough that spin statistics can be neglected. Under such conditions, it is reasonable to apply the ideas underlying the usual Born-Oppenheimer approximation to derive a path integral expression for the canonical partition function of the system. Such a situation arises in molecular systems with heavy nuclei and light electrons.

a.
(5 pts)
Starting from the exact path integral expression for the canonical partition function:

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where S[x,y] is the Euclidean action functional, show that the partition function can be expressed exactly in the form

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where tex2html_wrap_inline307 is the free Euclidean action integral for the y-particle:

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and where tex2html_wrap_inline311 is the partition function of the x-particle computed along a given path tex2html_wrap_inline315 of the y-particle. Provide a path integral expression for tex2html_wrap_inline311 .

b.
(10 pts)
The standard Born-Oppenheimer approximation consists in solving the Schrödinger equation for the x-particle

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at a fixed value of y.

For use in the path integral, the eigenvalues tex2html_wrap_inline325 need to be computed along a given path, tex2html_wrap_inline315 of the y-particle, which means that the eigenvalues become functionals, tex2html_wrap_inline331 , of this path. Use the idea of the Born-Oppenheimer approximation to explain why these functionals can be approximately expressed as simple imaginary time averages of tex2html_wrap_inline333 and provide, therefore, expressions for tex2html_wrap_inline331 and tex2html_wrap_inline311 within this approximation.

c.
(5 pts)
Using the results of part (b), write down the ``Born-Oppenheimer'' approximation to the canonical partition function of the xy system.

d.
(5 pts)
Suppose the energy spacing between the ground and first excited states of the x-particle is such that

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for all possible values of y. Write down an approximate expression for tex2html_wrap_inline345 in this case and give a physical interpretation of your expression.




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Mark Tuckerman
Fri Jun 28 11:29:20 EDT 2002