Correction to “Nonadiabatic Eigenfunctions Can Have Amplitude, Signed Conical Nodes, or Signed Higher Order Nodes at a Conical Intersection with Circular Symmetry”
Correction to “Nonadiabatic Eigenfunctions Can Have Amplitude, Signed Conical Nodes, or Signed Higher Order Nodes at a Conical Intersection with Circular Symmetry”
复制标题
修正“非绝热本征函数可以在与圆对称的圆锥交点处具有振幅、有符号圆锥节点或有符号高阶节点”
DOI：
10.1021/acs.jpca.9b00380
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发表时间：
2019
期刊：
影响因子：
--
通讯作者：
Jonas, David M.
中科院分区：
文献类型：
--
作者：
Foster, Peter W.;Jonas, David M.
原始论文1的支持信息中的表S1被用来测试与文献的计算，并正确地显示了9个Jahn-Teller稳定化能量的15个最低能量本征值。不幸的是，左栏中的一些量子数对于最右栏中两个最高的Jahn-Teller稳定化能量变得不正确。这些量子数的能量本征值在此校正的支持信息中给出。在21个错误的本征值/量子数对中，11个在参考文献2中给出了四位数，15个在参考文献3中以图形方式显示，12个在参考文献4中以图形方式显示，1个是新的（v= 4，j= 7/2，对于（Dω）= 200 cm− 1和ω= 200 cm− 1）。在原始论文1的正文中讨论的所有状态都处于较低的稳定化能量，并且不受此误差的影响。
Table S1 in the supporting information of the original paper 1 was used to test calculations against the literature and correctly showed the 15 lowest energy eigenvalues for nine Jahn− Teller stabilization energies. Unfortunately, some of the quantum numbers in the left column become incorrect for the two highest Jahn− Teller stabilization energies in the rightmost columns. Energy eigenvalues for these quantum numbers are given in the Supporting Information for this correction. Of the 21 incorrect eigenvalue/quantum number pairs, 11 are given to four digits in ref 2, 15 are shown graphically in ref 3, 12 are shown graphically in ref 4, and 1 is new (v= 4, j= 7/2, for (Dω)= 200 cm− 1 and ω= 200 cm− 1). All states discussed in the main text of the original paper 1 are at lower stabilization energies and are unaffected by this error.