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Spectroscopy of XY5Z (C4v) Molecules: Development of the Hamiltonian and the Transition Moment Operators Using a Tensorial Formalism

✍ Scribed by M. Rotger; V. Boudon; M. Loëte

Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
110 KB
Volume
200
Category
Article
ISSN
0022-2852

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✦ Synopsis

We present a development of the Hamiltonian, dipole moment, and polarizability operators of XY 5 Z (C 4v ) molecules using a tensorial formalism derived from the one developed previously in Dijon for XY 6 molecules. These operators are involved in the calculation of the energies and intensities of rovibrational transitions and are essential for spectrum simulations. Expressions for the matrix elements are derived for all these operators.

📜 SIMILAR VOLUMES

Spectroscopy of XY5Z (C4v) Molecules: A
Spectroscopy of XY5Z (C4v) Molecules: A Tensorial Formalism Adapted to the O(3) ⊃ Oh ⊃ C4v Chain
✍ M. Rotger; V. Boudon; M. Loëte 📂 Article 📅 2000 🏛 Elsevier Science 🌐 English ⚖ 115 KB

A tensorial formalism adapted to the case of XY 5 Z symmetric tops has been developed as an extension of the usual one for the octahedral molecules. We use the O(3) ʛ O h ʛ C 4v group chain. All the coupling coefficients and formulas for the computation of matrix elements are given for this chain. S

Spectroscopy of XY2Z2 (C2v) Molecules: A
Spectroscopy of XY2Z2 (C2v) Molecules: A Tensorial Formalism Adapted to the O(3)⊃Td⊃C2v Chain. Application to the Ground State of SO2F2
✍ M Rotger; V Boudon; M Loëte 📂 Article 📅 2002 🏛 Elsevier Science 🌐 English ⚖ 290 KB

A tensorial formalism adapted to the case of quasi-spherical XY 2 Z 2 asymmetric tops such as SO 2 F 2 has been developed as an extension of the usual one for the tetrahedral molecules. We use the O(3) ⊃ T d ⊃ C 2v group chain. All the coupling coefficients and formulas for the computation of matrix