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Constraint dynamics for quantum Monte Carlo calculations (2000)

Sarsa, A. ; Schmidt, K. E.

College Park, Md. : American Institute of Physics (AIP)

The Journal of Chemical Physics 113 (2000), S. 44-47

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ISSN: 1089-7690

Source: AIP Digital Archive

Topics: Physics , Chemistry and Pharmacology

Notes: We describe how to apply classical constraint dynamics to problems in diffusion Monte Carlo. We apply the method to rigid and nonrigid water molecules with an internal rotational degree of freedom. The method is applicable to a wide variety of problems. © 2000 American Institute of Physics.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1063/1.481771

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