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Derivation of the discretized path integral

We begin our discussion of the Feynman path integral with the canonical ensemble. The expressions for the partition function and expectation value of an observable A are, respectively

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It is clear that we need to be able to evaluate traces of the type appearing in these expressions. We have already derived expressions for these in the basis of eigenvectors of H. However, since the trace is basis independent, let us explore carrying out these traces in the coordinate basis. We will begin with the partition function and treat expectation values later.

Consider the ensemble of a one-particle system. The partition function evaluated as a trace in the coordinate basis is

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We see that the trace involves the diagonal density matrix element tex2html_wrap_inline192 . Let us solve the more general problem of any density matrix element tex2html_wrap_inline194 .

If the Hamiltonian takes the form

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then we cannot evaluate the operator tex2html_wrap_inline196 explicitly because the operators for kinetic (T) and potential energies (U) do not commute with each other, being, respectively, functions of momentum and position, i.e.,

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In this instance, we will make use of the Trotter theorem, which states that given two operators A and B, such that tex2html_wrap_inline206 , then for any number tex2html_wrap_inline208 ,

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Thus, for the Boltzmann operator,

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and the partition function becomes

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Define the operator in brackets to be tex2html_wrap_inline210 :

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Then,

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In between each of the P factors of tex2html_wrap_inline210 , the coordinate space identity operator

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is inserted. Since there are P factors, there will be P-1 such insertions. the integration variables will be labeled tex2html_wrap_inline220 . Thus, the expression for the matrix element becomes

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The next step clearly involves evaluating the matrix elementx

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Note that in the above expression, the operators involving the potential U(X) act on their eigenvectors and can thus be replaced by the corresponding eigenvalues:

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In order to evaluate the remaining matrix element, we introduce the momentum space identity operator

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Letting tex2html_wrap_inline224 , the matrix remaining matrix element becomes

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Using the fact that

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it follows that

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The remaining integral over p can be performed by completing the square, leading to the result

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Collecting the pieces together, and introducing the tex2html_wrap_inline228 limit, we have for the density matrix

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The partition function is obtained by setting x=x', which is equivalent to setting tex2html_wrap_inline232 and integrating over x, or equivalently tex2html_wrap_inline236 . Thus, the expression for tex2html_wrap_inline238 becomes

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where we have introduced a ``frequency''

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When expressed in this way, the partition function, for a finite value of P, is isomorphic to a classical configuration integral for a P-particle system, that is a cyclic chain of particles, with harmonic nearest neighbor interactions and interacting with an external potential U(x)/P. That is, the partition function becomes

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where

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Thus, for finite (if large) P the partition function in the discretized path integral representation can be treated as any ordinary classical configuration integral. Consider the integrand of tex2html_wrap_inline238 in the limit that all P points on the cyclic chain are at the same location x. Then the harmonic nearest neighbor coupling (which is due to the quantum kinetic energy) vanishes and tex2html_wrap_inline254 , and the integrand becomes

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which is just the true classical canonical position space distribution function. Therefore, the greater the spatial spread in the cyclic chain, the more ``quantum'' the system is, since this indicates a greater contribution from the quantum kinetic energy. The spatially localized it is, the more the system behaves like a classical system.

It remains formally to take the limit that tex2html_wrap_inline228 . There we will see an elegant formulation for the density matrix and partition function emerges.


next up previous
Next: About this document Up: No Title Previous: No Title

Mark Tuckerman
Fri Mar 10 17:49:49 EST 2000