Importance sampling in rigid body diffusion Monte Carlo
نویسندگان
چکیده
منابع مشابه
Importance Sampling in Rigid Body Diffusion Monte Carlo
We present an algorithm for rigid body diffusion Monte Carlo with importance sampling, which is based on a rigorous short-time expansion of the Green’s function for rotational motion in three dimensions. We show that this short-time approximation provides correct sampling of the angular degrees of freedom, and provides a general way to incorporate importance sampling for all degrees of freedom....
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ژورنال
عنوان ژورنال: Computer Physics Communications
سال: 2002
ISSN: 0010-4655
DOI: 10.1016/s0010-4655(02)00145-5