Dec 24, 2014

The Golden-Thompson Inequality and the Upper bound of Quantum Partition Function


Let A and B be two Hermitian matrices. The famous Baker-Campell-Hausdorff formula says, exp(A+B)=exp(A)exp(B)exp([A,B]/2)exp([A,[A,B]]/6+[B,[A,B]]/3)
In general, exp(A+B)exp(A)exp(B). Applying the trace-determinant relation detexpA=exptrA, however, we still have detexp(A+B)=detexp(A)exp(B).


In a similar fashion, the Golden-Thompson theorem states, trexp(A+B)trexp(A)exp(B),
the equality holds iff [A,B]=0.

As an application, let's consider β1A=ˆp2/(2m),β1B=V(ˆq), and [ˆq,ˆp]=i. β1(A+B)=ˆp2/(2m)+V(ˆq)=ˆH is the single-particle Hamiltonian. Apparently, Z(β)=trexp(βˆH) is the partition function of the one-body system. Now consider the right-hand side: trexp(βˆp2/(2m))exp(βV(ˆq))=dqdp2πq|exp(βˆp2/(2m))|pp|exp(βV(ˆq))|q=dxdp2πexp(βp2/(2m))exp(βV(q))q|pp|q=dxdp2πexp(β(p2/(2m)+V(q)))=dxdp2πexp(βH)=Zcl(β).
The last line is the partition function of a classical single-particle system.

Therefore, the Golden-Thompson theorem says, the classical partition function is the upper bounds of the quantum partition function, Z(β)Zcl(β). Replace the single-particle operator and single-particle basis with the many-body ones, or even second quantized fields, it is straight-forward to show the general relation between quantum and classical partition functions.