Action of the factorized propagator on the phase space vector next up previous
Next: The ``direct translation'' method Up: No Title Previous: The Trotter Theorem and

Action of the factorized propagator on the phase space vector

What is the action of tex2html_wrap_inline416 on (x,p)? Let us begin with its action on x. In order to perform this operation, we need two useful identities (of which the first is actually a consequence of the second):

displaymath173

In order to see this, simply expand the left side in a Taylor series:

displaymath176

since all derivatives higher than the first order derivative go to 0 when acting on x. The second identity concerns the action of the same operator on a function g(x): Here, we need all orders of the Taylor series:

eqnarray181

where tex2html_wrap_inline440 indicates the kth derivative of g. However, the last line is just the Taylor series expansion of g(x+c). Thus,

displaymath193

The same identities hold for the action of tex2html_wrap_inline448 on p and on h(p). Note that the action of tex2html_wrap_inline454 on p or h(p) has no effect, i.e. it acts like an identity operator and the same for tex2html_wrap_inline448 on x or g(x).

Using these identities, we can now evaluate the action of tex2html_wrap_inline416 on x:

displaymath196

The first operator that acts on x has no effect, since it only involves momentum derivatives. Thus,

displaymath201

The second operator changes x to tex2html_wrap_inline474 :

displaymath205

The last operator has no effect on x but acts on the p that was introduced in the second step. It changes p to tex2html_wrap_inline482 . Thus,

eqnarray209

We note that the x and p that appear in the above expression are the initial conditions (x(0),p(0)) and that tex2html_wrap_inline490 produces the approximate evolution tex2html_wrap_inline492 , which takes the form of the second order Taylor expansion:

displaymath215

Similarly, the action of tex2html_wrap_inline416 on p is

displaymath219

The first operator changes p to tex2html_wrap_inline482 :

displaymath224

The next operator changes F(x) to tex2html_wrap_inline504 and has no effect on p:

displaymath229

Finally, the last operator changes p to tex2html_wrap_inline482 in both places where it appears in the above expression,

eqnarray235

Note that the argument of the second force in the above expression is just, tex2html_wrap_inline492 . Also, the x and p that appear in the above are, again, the initial conditions, (x(0),p(0)), so that we can write

displaymath244

Combining the expressions for tex2html_wrap_inline492 and tex2html_wrap_inline522 , we see that the tex2html_wrap_inline416 produces the velocity Verlet algorithm that we introduced earlier in the lectures. However, it has been derived in a powerful way, which manifestly shows that the algorithm is symplectic and time-reversible.


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Next: The ``direct translation'' method Up: No Title Previous: The Trotter Theorem and

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Mark Tuckerman
Thu Oct 17 21:36:23 EDT 2002