Density functional theory of freezing: Analysis of crystal density
نویسندگان
چکیده
منابع مشابه
A Density Functional Theory Study of Structure of Phosphonic Acid
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متن کاملDensity functional theory for the freezing of soft-core fluids.
We present a simple density functional theory for the solid phases of systems of particles interacting via soft-core potentials. In particular, we apply the theory to particles interacting via repulsive point Yukawa and Gaussian pair potentials. We find qualitative agreement with the established phase diagrams for these systems. The theory is able to account for the bcc-fcc solid transitions of...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 1987
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.453663