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The '''Verlet modified''' | The '''Verlet modified''' (1980) (Ref. 1) closure for [[Hard sphere | hard sphere]] fluids, | ||
in terms of the [[cavity correlation function]], is (Eq. 3) | in terms of the [[cavity correlation function]], is (Eq. 3) | ||
:<math> | :<math>y(r) = \gamma (r) - A \frac{1}{2} \gamma^2(r) \left[ \frac{1}{1+ B \gamma(r) /2} \right]</math> | ||
where the [[ | where several sets of values are tried for ''A'' and ''B'' (Note, when ''A=0'' the [[HNC]] is recovered). | ||
Later (Ref. 2) (1981) Verlet used a Padé (2/1) approximant (Eq. 6) fitted to obtain the best [[Hard sphere | hard sphere]] results | |||
by minimising the difference between the pressures obtained via the virial and compressibility routes: | |||
:<math>{\ | :<math>y(r) = \gamma (r) - A \frac{1}{2} \gamma^2(r) \left[ \frac{1+ \lambda \gamma(r)}{1+ \mu \gamma(r)} \right]</math> | ||
with <math>A= 0.80</math>, <math>\lambda= 0.03496</math> and <math>\mu = 0.6586</math>. | |||
==References== | ==References== | ||
#[http://dx.doi.org/10.1080/00268978000102671 Loup Verlet "Integral equations for classical fluids I. The hard sphere case", Molecular Physics '''41''' pp. 183-190 (1980)] | |||
#[http://dx.doi.org/10.1080/00268978100100971 Loup Verlet "Integral equations for classical fluids II. Hard spheres again", Molecular Physics '''42''' pp. 1291-1302 (1981)] | |||
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