Invariant expansion III: The general solution of the mean spherical model for neutral spheres with electostatic interactions
Invariant expansion III: The general solution of the mean spherical model for neutral spheres with electostatic interactions
复制标题
不变展开式 III：具有静电相互作用的中性球的平均球模型的通解
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发表时间：
1973
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影响因子：
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通讯作者：
L. Blum
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文献类型：
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作者：
L. Blum
在先前的通信中得到的具有静电相互作用的中性球的平均球模型的部分解[L]。Blum， J. Chem。物理学57,1862（1972）。扩展到一般情况，其中包括奇宇称的静电相互作用，如偶极-四极相互作用。解是用直接相关函数的线性变换给出的，它是在硬芯直径内r的多项式。该多项式的系数由足够数量的边界条件确定。求解方法采用Ornstein - Zernike方程的第二Baxter形式[j] .物理学报，21,563（1968）。这是为这个特殊情况而衍生出来的。此外，还得到了坐标空间中Ornstein - Zernike方程的替代形式。对具有线性偶极矩和四极矩的分子作了简要说明。
The partial solution for the mean spherical model of neutral spheres with electrostatic interactions obtained in a previous communication [L. Blum, J. Chem. Phys. 57, 1862 (1972).] is extended to the general case, in which the electrostatic interactions of odd parity, like the dipole‐quadrupole interaction, are included. The solution is given in terms of a linear transform of the direct correlation function, which is shown to be a polynomial in r inside the hard core diameter. The coefficients of this polynomial are determined from a sufficient number of boundary conditions. The method of solution employs the so‐called second Baxter form of the Ornstein‐Zernike equation [Australian J. Phys. 21, 563 (1968).] which is derived for this particular case. Also, alternative forms of the Ornstein‐Zernike equation in coordinate space are obtained. The case of molecules with linear dipole and quadrupole moments is summarily illustrated.