The freezing of hard spheres: The density functional theory revisited

作者: M. Baus , J.L. Colot

DOI: 10.1080/00268978500101621

关键词: Statistical physicsExact differential equationTruncationConvergent seriesHard spheresComputer experimentDensity functional theoryNumerical analysisPhysics

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

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