Re: How to determine multideterminant coefficients ?
Posted: Sat May 28, 2016 8:13 am
Hi MikeMdeible wrote:Hi MinjiaZhao,
It may be true that optimizing the determinants simultaneously with the Jastrow factor will effect the parameters of the Jastrow factor. However, if this is the only effect you are seeing, it won't make any difference to the DMC energy. The Jastrow factor has no impact on the nodal structure, but the determinants coefficients do. So, if you optimize the coefficients and they don't change and only the JF changes, it will leave your DMC energy largely unchanged as well because each wave function will have the same nodal structure.
Mike
I get it, perhaps. Thank you very much!
Best
MinjiaZhao