Importance sampling in rigid body diffusion Monte Carlo

DOI10.1016/S0010-4655(02)00145-5zbMath1002.82020arXivphysics/0109004OpenAlexW3098744210MaRDI QIDQ1605137

Parhat Niyaz, Alexandra Viel, Mehul V. Patel, K. Birgitta Whaley

Publication date: 11 July 2002

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/physics/0109004

zbMATH Keywords

algorithmmolecular van der Waals clustersrigid body diffusion Monte Carloshort-time expansion

Mathematics Subject Classification ID

Interacting particle systems in time-dependent statistical mechanics (82C22) Molecular physics (81V55) Software, source code, etc. for problems pertaining to statistical mechanics (82-04)

Related Items (2)

Importance Sampling for Metastable and Multiscale Dynamical Systems ⋮ STRUCTURE AND SPECTROSCOPY OF DOPED HELIUM CLUSTERS USING QUANTUM MONTE CARLO TECHNIQUES

Cites Work

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• Solution of the Schrödinger equation by a spectral method
• Isotropic Rotational Brownian Motion
• Theory of the Rotational Brownian Motion of a Free Rigid Body

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