Hyper-netted chain: Difference between revisions

From SklogWiki
Jump to navigation Jump to search
m (New page: The HNC omits the Bridge function :<math>B(r) =0</math>)
 
mNo edit summary
Line 1: Line 1:
The HNC omits the Bridge function
The HNC equation has a clear physical basis in the Kirkwood superposition approximation \cite{MP_1983_49_1495}.The hyper-netted chain approximation is obtained by omitting the elementary clusters, <math>E(r)</math>, in the exact convolution equation for <math>g(r)</math>. The  hyper-netted chain (HNC) approximation was developed almost simultaneously by various
:<math>B(r) =0</math>
groups, namely: van Leeuwen, Groeneveld and de Boer, 1959 \cite{P_1959_25_0792}, Morita and Hiroike, 1960 \cite{PTP_1958_020_0920,PTP_1959_021_0361,PTP_1960_023_0829,PTP_1960_023_1003,PTP_1960_024_0317,PTP_1961_025_0537},
Rushbrooke, 1960 \cite{P_1960_26_0259}, Verlet, 1960 \cite{NC_1960_18_0077_nolotengo}, and Meeron, 1960 \cite{JMP_1960_01_00192}. The HNC omits the Bridge function, i.e. <math> B(r) =0 </math>, thus
the  cavity correlation function becomes
:<math>\ln y (r) =  h(r)  -c(r) \equiv \gamma (r)</math>
The HNC closure can be written as (5.7)
:<math>f [ \gamma (r) ] = e^{[-\beta \Phi (r) + \gamma (r)]} - \gamma (r) -1</math>
or
:<math>c(r)= h(r) - \beta \Phi(r) - \ln {\rm g}(r)</math>
or (Eq. 12 \cite{MP_1983_49_1495})
:<math> c(r)= g(r) - \omega(r) </math>
The HNC approximation is well suited for long-range potentials, and in particular, Coulombic systems. For details of the numerical solution of the HNC for ionic systems see \cite{MP_1988_65_0599}.
==References==

Revision as of 18:14, 16 February 2007

The HNC equation has a clear physical basis in the Kirkwood superposition approximation \cite{MP_1983_49_1495}.The hyper-netted chain approximation is obtained by omitting the elementary clusters, , in the exact convolution equation for . The hyper-netted chain (HNC) approximation was developed almost simultaneously by various groups, namely: van Leeuwen, Groeneveld and de Boer, 1959 \cite{P_1959_25_0792}, Morita and Hiroike, 1960 \cite{PTP_1958_020_0920,PTP_1959_021_0361,PTP_1960_023_0829,PTP_1960_023_1003,PTP_1960_024_0317,PTP_1961_025_0537}, Rushbrooke, 1960 \cite{P_1960_26_0259}, Verlet, 1960 \cite{NC_1960_18_0077_nolotengo}, and Meeron, 1960 \cite{JMP_1960_01_00192}. The HNC omits the Bridge function, i.e. , thus the cavity correlation function becomes

The HNC closure can be written as (5.7)

or

or (Eq. 12 \cite{MP_1983_49_1495})

The HNC approximation is well suited for long-range potentials, and in particular, Coulombic systems. For details of the numerical solution of the HNC for ionic systems see \cite{MP_1988_65_0599}.

References