The Theory and Calculation of Screening Constants
The Theory and Calculation of Screening Constants
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DOI：
10.1103/physrev.36.878
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发表时间：
1930-09
期刊：
影响因子：
--
通讯作者：
C. Eckart
中科院分区：
文献类型：
--
作者：
C. Eckart
证明了：如果H是负能量算符，φ是满足量子动力学边界条件的函数，且具有给定谱级数的对称性特征，则E= H φ* H φ d τ是该谱级数最低能级项值的下限.如果对不同的φ求积分，则得到的最大值将是该项值的最佳近似。该方法已应用于多种电子组态，得到了满意的结果。φ与态波函数的近似程度还不确定，但可以看出，在离核很远的地方，这种近似可能并不好。
It is shown that if H is the negative energy operator, and φ any function satisfying the boundary conditions of quantum dynamics and possessing the symmetry properties characteristic of a given spectral series, then E=∫ φ* H φ d τ is a lower limit to the term-value of the lowest level of that series. If the integral is evaluated for various φ, the largest value obtained will be the best approximation to this term value. The method is applied to various electronic configurations with satisfactory results. The degree to which φ approximates the wave function of the state is not determined, but it is shown to be likely that the approximation is not good at large distances from the nucleus.