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Properties of the Liouville operator and the classical propagator

We shall next prove a number of important properties of the Liouville operator and the classical propagator. First, we show that the Liouville operator is Hermitian:

displaymath114

In order to prove this, we introduce a set of orthonormal functions, tex2html_wrap_inline244 on the phase space. These satisfy

displaymath117

We shall also assume that tex2html_wrap_inline246 as tex2html_wrap_inline248 . That is, the phase space is bounded. The matrix elements of L in this basis are:

displaymath120

Thus, the Hermitian condition on L can be expressed as

displaymath126

Interchanging k and l in the matrix element expression gives

eqnarray130

Now integrate the last line by parts. When this is done, the boundary term vanishes due to our assumption about the boundedness of phase space, and we obtain

eqnarray140

Therefore, L is Hermitian.

Given that L is Hermitian, it follows that the propagator tex2html_wrap_inline262 is a unitary operator. This means

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To show this, note that

eqnarray150

Finally, we shall show that unitarity of the propagator implies time reversal symmetry in the equations of motion. Time reversal symmetry means that if the direction of the flow of time is reversed, the equations of motion take the same form. Note that under a time reversal transformation, tex2html_wrap_inline264 and tex2html_wrap_inline266 . Thus, while tex2html_wrap_inline268 , tex2html_wrap_inline270 . Substituting these into Hamilton's equations gives

eqnarray159

so that Hamilton's equations take the same form under a time-reversal transformation.

The implication of time-reversal symmetry is that if the system is propagated forward in time up to a time t and then the clock is allowed to run backwards for a time -t, the system will evolve according to the same equations of motion but the direction of the velocities will be reversed, so that the system will simply return to its initial condition. To see that this is implied by the unitarity of the propagator, note that tex2html_wrap_inline276 . Now applying U(t) to tex2html_wrap_inline280 to yield tex2html_wrap_inline282 followed by application of U(-t) gives

eqnarray171

Thus, the operator U(-t)U(t)=I, which implies that tex2html_wrap_inline288 , since U(t) is unitary. Since tex2html_wrap_inline292 is equivalent to backward propagation in time, unitarity implies reversibility since it is always true that tex2html_wrap_inline294 for a unitary operator.

Since U(t) is unitary, it is possible to show that its determinant is 1. In order to show this, consider working in a basis in which U(t) is diagonal with diagonal elements tex2html_wrap_inline300 . The determinant of U(t) is

displaymath178

Therefore, the determinant of tex2html_wrap_inline292 is

displaymath182

Finally, since tex2html_wrap_inline306 , and the diagonal elements of tex2html_wrap_inline308 are tex2html_wrap_inline310 . However, since tex2html_wrap_inline306 , this implies that tex2html_wrap_inline314 so that tex2html_wrap_inline316 . determinant of both sides gives

eqnarray191

However, since tex2html_wrap_inline316 , it follows that the determinant is 1. But since tex2html_wrap_inline320 , we see that the matrix U(t) is just the Jacobian matrix tex2html_wrap_inline324 , and we already know that the determinant of this matrix is 1 for Hamiltonian systems. Therefore, unitarity of the propagator is consistent with Liouville's theorem, which states that the volume in phase space is preserved under Hamilton's equations.


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Next: About this document Up: No Title Previous: Operators and numerical propagation

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Mark Tuckerman
Thu Oct 17 00:09:53 EDT 2002