Verlet modified

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The Verlet modified (1980) (Ref. 1) closure for hard sphere fluids, in terms of the cavity correlation function, is (Eq. 3)

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 results by minimising the difference between the pressures obtained via the virial and compressibility routes:

with , and .

References

  1. [MP_1980_41_0183]
  2. [MP_1981_42_1291]