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Calculation of the intensities of the vibrational-rotational lines of polyatomic molecules using the formalism of irreducible tensor systems

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Abstract

The theory of irreducible tensor systems is used to obtain general formulas for the dependence of the matrix elements of the transformed vibrational—rotational dipole moment on the rotational quantum numbers. The relations obtained are valid for molecules of arbitrary symmetry and can take into account all possible intramolecular effects and interactions (resonances, vibration—rotation interactions, splitting, etc.). As illustrations we consider molecules of the type XY4 (symmetry Td) and XY2 (symmetry C2v).

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Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, No. 8, pp. 3–10, August, 1987.

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Savel'ev, V.N., Ylenikov, O.N. Calculation of the intensities of the vibrational-rotational lines of polyatomic molecules using the formalism of irreducible tensor systems. Soviet Physics Journal 30, 643–649 (1987). https://doi.org/10.1007/BF00895935

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Keywords

  • Matrix Element
  • Dipole Moment
  • Quantum Number
  • General Formula
  • Polyatomic Molecule