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The tensor J8 contribution to the rotational energy of a tetrahedral molecule
Authors:Irving Ozier
Institution:Department of Physics, University of British Columbia, Vancouver, Canada
Abstract:Two methods are outlined for calculating the tensor distortion energy of a tetrahedral molecule to the eighth degree in the rotational angular momentum. In the first, the entire distortion Hamiltonian including the eighth-rank distortion tensor Ω8 is diagonalized. In the second, the basis which diagonalizes only the fourth rank tensor Ω4 is used to generate tables which allow the direct determination of the octic energy terms. For J ≤ 20, numerical values are given of the diagonal matrix elements of Ω8 and of the second-order perturbation correction due to offdiagonal matrix elements of the sixth-rank tensor Ω6. Explicit expressions in terms of angular momentum operators are given for Ω8 and a selection of the operator equivalents T8,m.
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