Abstract
A tensorial formalism adapted to the case of the X 2 Y 4 molecules with D 2 h symmetry has been developed in the same way as in the previous works on XY 4 ( T d ) and XY 6 ( O h ) spherical tops and XY 5 Z ( C 4 v ) symmetric tops. Here, we use the O(3)⊃ D 2 h group chain. All the coupling coefficients and formulas for the computation of matrix elements are given for this chain and used in the case of the Hamiltonian and transition moment operators.
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