ABSOLUTE HARDNESS - COMPANION PARAMETER TO ABSOLUTE ELECTRONEGATIVITY
ABSOLUTE HARDNESS - COMPANION PARAMETER TO ABSOLUTE ELECTRONEGATIVITY
复制标题
DOI：
10.1021/ja00364a005
复制
发表时间：
1983-01-01
影响因子：
15
通讯作者：
PEARSON, RG
中科院分区：
文献类型：
--
作者：
PARR, RG;PEARSON, RG
对于中性和带电的物质，原子和分子，定义了一种称为绝对硬度的性质。设E（N）为基态电子能量，其为电子数N的函数。众所周知，保持核电荷Z不变，E（N）对N的导数是化学势μ或绝对电负性的负值：
For neutral and charged species, atomic and molecular, a property called absolute hardness is defined. Let E (N) be a ground-state electronic energy as a function of the number of electrons N. As is well-known, the derivative of E (N) with respect to N, keeping nuclearcharges Z fixed, is the chemical potential µ or the negative of the absolute electronegativity: µ=