Correlation effects in the calculation of ordinary and rotatory intensities
Correlation effects in the calculation of ordinary and rotatory intensities
复制标题
普通强度和旋转强度计算中的相关效应
DOI：
10.1080/00268976700101301
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发表时间：
1967
影响因子：
1.7
通讯作者：
A. Hansen
中科院分区：
文献类型：
--
作者：
A. Hansen
一个混合的偶极长度偶极速度的电子跃迁的振子强度的表达式被证明是相当不敏感的基态相关效应比普通的偶极长度和偶极速度公式。旋光强度的类似考虑表明，在某些情况下，对称性有利，偶极长度表达式的结果同样显着受基态相关的影响比偶极速度表达式的结果。对激发态关联误差的重要性作了一些评论。
A mixed dipole length-dipole velocity expression for the oscillator strength of an electronic transition is shown to be rather less sensitive to ground state correlation effects than are the ordinary dipole length and dipole velocity formulae. Similar considerations for rotatory strengths show that, in certain, symmetry favoured, cases the results of the dipole length expression are likewise significantly less affected by ground state correlation than are the results of the dipole velocity expression. Some comments are made on the importance of correlation errors in the excited states.