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The computer code for the vdW/CH theory was tested by recalculating the results of Sarkies and Frankel (Sarkies, K. W.; Frankel, N. E. Phys. Rev. A 1975, 11, 1724), which were reproduced accurately.
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A similar phenomenon was found for another semiempirical density functional theory (Nyquist, R. M.; Talanquer, V.; Oxtoby, D. W J. Chem. Phys. 1995, 103, 1175), where the orientational ordering of surface dipoles of polar liquids translates into an artificially short-ranged interaction and a narrow interface.
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note
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Note, that even for Ar where the LJ interaction is expected to work quite well, the inclusion of three-body potentials is necessary to achieve a quantitative agreement with the measured surface tension (ref 4b).
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private communication
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Oxtoby, D. W., private communication.
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Oxtoby, D.W.1
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