On Thu, Oct 22, 2015, Hadeer ELHabashy wrote:
> Hydrogen bonding time correlation function of a hydrogen atom. I think it
> is position correlation function !
>
> > > Actually, I want to calculate the time correlation function of one atom H
> > > for example C(t)=<H(t)-H(0)>
I think you still need to be more specific. What is the funcion H(t) above?
Further, the formula looks wrong: H(0) looks like a consant(?) that could
be taken out of the average, leaving you with <H(t)>.
Time correlation functions generally look like products: <F(t)F(t+tau)>. Even
if you write your function as <H(t+tau)-H(t)>, the result is just zero.
So, try to formulate a precise mathematical version of what it is you wish
to compute.
....good luck....dac
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Received on Thu Oct 22 2015 - 16:00:03 PDT
