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The freezing of hard spheres: The density functional theory revisited

par Baus, Marc ;Colot, Jean-Louis
Référence Molecular Physics, 55, 3, page (653-677)
Publication Publié, 1985

Article révisé par les pairs

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Résumé :

We have analysed the recent theories of freezing and found that all results obtained hitherto are biased numerically by the early truncation of slowly converging series. As a result the local density of the solid is shown to become very negative in the interstitial regions. Therefore we have reconsidered the theory of freezing starting from formally exact equations, making three physical approximations and testing all numerical methods for the case of the freezing of hard spheres. A fluid-solid transition is found which is in fair agreement with the known computer experiments. © 1985 Taylor & Francis Group, LLC.