Abstract
Terms that are linear functions of the particle displacements can be added to the effective potentials in Jastrow-type wave functions for a quantum solid without affecting the exact values of any expectation value. However, these correction terms do affect estimates for expectation values that are obtained by using only leading terms in a cluster expansion. Criteria for determining the coefficients in these linear terms are proposed. Without those term included, the cluster expansion values for the kinetic and potential energies differed from the “exact” Monte Carlo values by 18–42%. Including the linear correction terms reduced this difference to 1–25%. Including the correction terms had less effect on the total energy.
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Day, M.A., Hardy, R.J. Linear correction terms for cluster expansions for quantum solids. J Low Temp Phys 52, 63–72 (1983). https://doi.org/10.1007/BF00681265
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DOI: https://doi.org/10.1007/BF00681265