On Tue, May 11, 2010, aapeters.ncsu.edu wrote:
>
> Would I be wrong if I obtained an average PIMD trajectory by an equally
> weighted average over the trajectories of the PIMD beads?
It may depend on what you are planning to use the "average" trajectory
for, but generally, the average of the beads has no (little?) meaning.
Quantum dynamics is a complex subject, and it's hard to give a short
answer, especially without knowing what you plan to do with the average
trajectory once you have computed it. If you are interested in time-dependent
behavior (e.g. time-correlation functions) please see sections 5.2 to 5.4
of the Users' Manual.
....good luck....dac
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Received on Wed May 12 2010 - 08:00:03 PDT
