Is there a zeroth order time-step error in diffusion quantum Monte Carlo?
- 1 August 1987
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 87 (3), 1905-1906
- https://doi.org/10.1063/1.453213
Abstract
It is demonstrated that the short-time Green’s function often used in diffusion quantum Monte Carlo simulations of the Schrödinger equation generates an unbiased probability distribution in the limit of vanishing time step τ. For finite τ, an error is introduced into the potential which is of O(τ). An expression for this term is derived.Keywords
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