Thursday, 26 March 2015

homework and exercises - Quantum Stat-Mech Proof of an Inequality for the Partition Function


I have the following problem that I was unable to solve for class, but I had a couple first steps that I started with that I am unable to finish. I know I can't get this since it's already been turned in, but I would like to see if this was even a viable option for doing this proof in the first place.


``Given an orthogonal set of states, $\{\phi_{n}\}$, and a Hamiltonian, $\hat{H}$, show that the partition function, $Q_{\beta}$, satisfies the following $$ Q_\beta \geq \sum_{n}\exp\{-\beta \langle \phi_n|\hat{H}|\phi_n\rangle \}$$ with equality holding when the $\phi_n$ states are eigenstates of the Hamiltonian.''


I started by dropping in the identity in the exponential (as eigenstates of the Hamiltonian) $$ \sum_n \exp\{ -\beta\sum_k \langle \phi_n|\psi_k\rangle\langle \psi_k |\hat{H}|\phi_n\rangle\}=\sum_n \exp\{ -\beta \sum_k E_k |c_{nk}|^2\}$$ Then I am left with showing that $$\sum_n \exp\{ -\beta \sum_k E_k |c_{nk}|^2\} \leq \sum_k \exp\{ -\beta E_k\}$$ with equality showing up again the same way, with a Kronecker delta $\delta_{nk}$ collapsing the sum in the exponential.



I realize I didn't make it very far, so this might not be the best way to show this, but it seems manifestly true just by looking at it, but I can't actually show it. Does anyone have any hints about how to continue with this?



Answer



Here is a sketched proof of the inequality. The problem is to show that


$$ \sum_n\langle \phi_n|e^{-\beta \hat{H}}|\phi_n\rangle ~\stackrel{?}{\geq}~ \sum_n e^{-\beta\langle \phi_n|\hat{H}|\phi_n\rangle} ,\qquad\qquad (1)$$


where the Hamiltonian $\hat{H}$ is a selfadjoint operator, and $|\phi_n\rangle $ denote orthonormal basis vectors in the Hilbert space of states. The lhs. of eq. (1) is the partition function ${\rm Tr}(e^{-\beta \hat{H}})$. By scaling $\hat{H}$, we may assume that $\beta=-1$. The inequality (1) would follow if we can show the inequality for each and every summand


$$ \langle \phi_n|e^{ \hat{H}}|\phi_n\rangle ~\stackrel{?}{\geq}~ e^{ \langle \phi_n|\hat{H}|\phi_n\rangle} ,\qquad\qquad (2)$$


or equivalently, in a simplified notation for fixed $n$,


$$ \langle e^{ \hat{H}}\rangle ~\stackrel{?}{\geq}~ e^{ \langle \hat{H} \rangle} .\qquad\qquad (3)$$


But eq. (3) is just Jensen's inequality for a convex function (with the exponential function playing the role of the convex function).


No comments:

Post a Comment

Understanding Stagnation point in pitot fluid

What is stagnation point in fluid mechanics. At the open end of the pitot tube the velocity of the fluid becomes zero.But that should result...