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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 55, 1985 - Issue 3
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Original Articles

The freezing of hard spheres

The density functional theory revisited

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Pages 653-677 | Received 16 Nov 1984, Accepted 04 Mar 1985, Published online: 23 Aug 2006
 

Abstract

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.

Additional information

Notes on contributors

M. Baus

Chercheur Qualifié du F.N.R.S.

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