Irreducible bases and correlations of spin states for double point groups
Shi-Hai Dong, Xi-Wen Hou, Zhong-Qi Ma

TL;DR
This paper develops a method to construct symmetrical adapted bases for spin states using irreducible bases of double groups, with explicit calculations for the tetrahedral double group, enhancing understanding of spin correlations in these symmetries.
Contribution
It introduces an analytic formula for combining spin states into symmetrical bases for double groups, applicable to all such groups and demonstrated explicitly for the tetrahedral double group.
Findings
Analytic formula for symmetrical basis construction
Explicit spin state correlations for T' group
Method applicable to all double point groups
Abstract
In terms of the irreducible bases of the group space of the octahedral double group {\bf O'}, an analytic formula is obtained to combine the spin states into the symmetrical adapted bases, belonging to a given row of a given irreducible representation of {\bf O'}. This method is effective for all double point groups. However, for the subgroups of {\bf O'}, there is another way to obtain those combinations. As an example, the correlations of spin states for the tetrahedral double group {\bf T'} are calculated explicitly.
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Taxonomy
TopicsAdvanced NMR Techniques and Applications · Magnetism in coordination complexes · Crystallography and Radiation Phenomena
