M-body density functional theory and the generalized hypernetted-chain equation

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Abstract

Functions up to M-body (M>2) correlations can be determined by generalizing the hypernetted-chain theory (HNC) for two-body correlation. M-1 equations are obtained for the correlation functions based on the M-body density functional theory and a generalized Percus idea for M-1 particles held fixed in space. A closed set of equations is obtained with M-1 Ornstein-Zernike relations. The equations are presented for the case M = 3 due to the complexity of the coupled integral equations, and compared with the HNC2 equations.

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Munakata, T., & Kim, K. (2000). M-body density functional theory and the generalized hypernetted-chain equation. Journal of Chemical Physics, 113(10), 3975–3979. https://doi.org/10.1063/1.1288516

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