ON THE EIGENVALUE SPECTRUM OF AN OCTAHEDRALLY INVARIANT TENSOR OPERATOR

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1976

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Ohio State University

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The operator in the Hamiltonian which dominates the fine-structure splitting patterns in spherical-top molecules of tetrahedral and octahedral symmetry is the irreducible tensor $$T = (70)^{1/2}T(40) + 5[T(44) + T(4-4)]$$ which can be expressed, for example, in the case of pure rotations as \begin{eqnarray*} -6(J^{2})^{2} + 10 (J^{4}{x} + J^{4}{y} + J^{4}{z}) + 2J^{2}\ = {3\over2} (J^{2})^{2} - 15J^{2}J^{2}{o} + {35 \over 2}J^{4} - 3J^{2} + {25 /over 2}J^{2}{o} +{ 5 \over 4} (J^{4}{+} + J^{4}_{-}) .\end{eqnarray*} The eigenvalues of this operator have been used to account for complicated high resolution infrared spectra of molecules like CH4 and SF6. We have extended the calculations of these eigenvalues to J≤100, and have discovered regularities in the eigenvalue spectrum which persist for all values of J considered. Furthermore, other remarkable patterns appear at moderate values of J and become more pronounced as J increases. These phenomena will be illustrated with numerical examples.

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This research has been supported, in part, by USERDA. Kenneth Fox is Visiting Staff Member at Los Alamos Scientific laboratory. Kenneth Fox is Visiting Staff Member at Los Alamos Scientific laboratory.


Author Institution: Los Alamos Scientific Laboratory, University of California

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