Constraint dynamics for quantum Monte Carlo calculations

A. Sarsa; Kevin Schmidt; J. W. Moskowitz

doi:10.1063/1.481771

Constraint dynamics for quantum Monte Carlo calculations

A. Sarsa, Kevin Schmidt, J. W. Moskowitz

Physics

Research output: Contribution to journal › Article › peer-review

17 Scopus citations

Abstract

The inclusion of arbitrary distance constraints into diffusion Monte Carlo can be done identically to the methods already developed and used in classical simulations. With this approach, the appropriate generalized coordinates do not have to be found and sampled to simulate systems with internal degrees of freedom.

Original language	English (US)
Pages (from-to)	44-47
Number of pages	4
Journal	Journal of Chemical Physics
Volume	113
Issue number	1
DOIs	https://doi.org/10.1063/1.481771
State	Published - Jul 1 2000

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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abstract = "The inclusion of arbitrary distance constraints into diffusion Monte Carlo can be done identically to the methods already developed and used in classical simulations. With this approach, the appropriate generalized coordinates do not have to be found and sampled to simulate systems with internal degrees of freedom.",

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AU - Moskowitz, J. W.

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Constraint dynamics for quantum Monte Carlo calculations

Abstract

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