Calculation of the Vibrational-Rotational Energy Structure of Molecules with Tetrahedral Symmetry of the Type XY4
On the basis of the formalism of irreducible tensor operators in symmetrized form, a Hamiltonian has been constructed, an algorithm has been developed, and a software package has been created that allows the calculation of high-resolution spectra for various polyads of interacting vibrational states...
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Veröffentlicht in: | Russian physics journal 2014-11, Vol.57 (7), p.969-972 |
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Hauptverfasser: | , , , , , |
Format: | Artikel |
Sprache: | eng |
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Online-Zugang: | Volltext |
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Zusammenfassung: | On the basis of the formalism of irreducible tensor operators in symmetrized form, a Hamiltonian has been constructed, an algorithm has been developed, and a software package has been created that allows the calculation of high-resolution spectra for various polyads of interacting vibrational states and also makes it possible to interpret the spectra and solve the inverse spectroscopic problem for molecules with tetrahedral symmetry. |
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ISSN: | 1064-8887 1573-9228 |
DOI: | 10.1007/s11182-014-0332-5 |