Editing Reference hyper-netted chain
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Rosenfeld and Ashcroft (1979) (Ref. 1) proposed the `anzatz of universality': | Rosenfeld and Ashcroft (1979) (Ref. 1) proposed the `anzatz of universality': | ||
"...the bridge functions.. ..constitute the same family of curves, irrespective of the assumed pair potential" | "...the bridge functions.. ..constitute the same family of curves, irrespective of the assumed pair potential" | ||
The basis of the method is to solve the modified | The basis of the method is to solve the modified HNC equation | ||
(with inclusion of the one-parameter | (with inclusion of the one-parameter bridge functions | ||
appropriate to | appropriate to hard spheres), and determine the only free parameter <math>\eta</math> | ||
(related to the hard-sphere diameter) by requiring | (related to the hard-sphere diameter) by requiring thermodynamic consistency. | ||
Fred Lado (Ref. 2) and Rosenfeld and Ashcroft (1979) (Ref. 3) | Fred Lado (Ref. 2) and Rosenfeld and Ashcroft (1979) (Ref. 3) | ||
noticed that the | noticed that the OZ equation can always be written in the form | ||
:<math>\gamma_{12} = \rho \int_V (h_{13} - \gamma_{13}) h_{23} ~{\rm d}(3)</math> | :<math>\gamma_{12} = \rho \int_V (h_{13} - \gamma_{13}) h_{23} ~{\rm d}(3)</math> | ||
In view of this a hybrid solution between the [[HNC| hyper-netted chain]] | In view of this a hybrid solution between the [[HNC| hyper-netted chain]] | ||
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(See also Ref.s 6 and 7) | (See also Ref.s 6 and 7) | ||
The RHNC closure is given by (Eq. 17 Ref. 7) | The RHNC closure is given by (Eq. 17 Ref. 7) | ||
:<math> c\left(r\right) = h(r) - \ln [g(r) e^{\beta \ | :<math> c\left(r\right) = h(r) - \ln [g(r) e^{\beta \phi(r)}] + B_0(r) </math> | ||
along with the constraint (Eq. 18 Ref. 7) | along with the constraint (Eq. 18 Ref. 7) | ||
:<math>\rho \int [g(r) - g_0(r)] \delta B_0(r) dr_3 = 0 </math> | :<math>\rho \int [g(r) - g_0(r)] \delta B_0(r) dr_3 = 0 </math> | ||
Incorporating a reference potential <math>\phi_0(r)= \phi_0(r;\sigma,\epsilon)</math> | |||
Incorporating a reference potential <math>\ | |||
this equation becomes (Eqs. 19a and 19b in Ref. 7) | this equation becomes (Eqs. 19a and 19b in Ref. 7) | ||
:<math>\rho \int [g(r) - g_0(r)] \sigma \frac{\partial B_0(r)}{\partial \sigma}dr_3 = 0 </math> | :<math>\rho \int [g(r) - g_0(r)] \sigma \frac{\partial B_0(r)}{\partial \sigma}dr_3 = 0 </math> |