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...

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Bibliographic Details

Main Authors:	Viel, Alexandra, Patel, Mehul V, Niyaz, Parhat, Whaley, K. Birgitta
Format:	Journal Article
Language:	English
Published:	04-09-2001
Subjects:	Physics - Atomic and Molecular Clusters Physics - Computational Physics Physics - Disordered Systems and Neural Networks Physics - Materials Science Physics - Mesoscale and Nanoscale Physics Physics - Other Condensed Matter Physics - Quantum Gases Physics - Soft Condensed Matter Physics - Statistical Mechanics Physics - Strongly Correlated Electrons Physics - Superconductivity
Online Access:	Get full text
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