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- W2019914684 abstract "The Percus’ test-particle method is extended to predict the inter- and intramolecular correlation functions of polymeric fluids using a density functional theory developed earlier [J. Chem. Phys. 117, 2368 (2002)]. The calculated inter- and intramolecular distribution functions as well as the site–site correlation functions agree well with the results from Monte Carlo simulation for freely jointed hard-sphere chains. Compared with the integral-equation approaches and alternative density functional theories, the present method is free of molecular simulations as input and has the advantage of self-consistency among inter- and intramolecular correlation functions and thermodynamic properties." @default.
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- W2019914684 date "2003-02-04" @default.
- W2019914684 modified "2023-09-24" @default.
- W2019914684 title "Extended test-particle method for predicting the inter- and intramolecular correlation functions of polymeric fluids" @default.
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- W2019914684 doi "https://doi.org/10.1063/1.1539840" @default.
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