Kinetic Energy Operator for Linear A2B2 Type Molecules in Polyspherical Nonorthogonal Internal Coordinates

The form of the vibrational-rotational operator of kinetic energy for linear symmetric molecules of the A 2 B 2 type in polyspherical nonorthogonal internal coordinates (bond lengths and angles between bonds) is obtained. Nonorthogonal coordinates have advantages in calculating the wave functions of...

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Bibliographic Details
Published in:Atmospheric and oceanic optics 2023-12, Vol.36 (6), p.613-621
Main Authors: Protasevich, A. E., Nikitin, A. V.
Format: Article
Language:English
Subjects:
Acetylene
Energy levels
Kinetic energy
Lasers
Line spectra
Mathematical analysis
Optical Devices
Optics
Photonics
Physics
Physics and Astronomy
Rotational spectra
Spectroscopy of Ambient Medium
Wave functions
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Summary:The form of the vibrational-rotational operator of kinetic energy for linear symmetric molecules of the A 2 B 2 type in polyspherical nonorthogonal internal coordinates (bond lengths and angles between bonds) is obtained. Nonorthogonal coordinates have advantages in calculating the wave functions of heavy linear molecules, for example, C 2 F 2 and C 2 Cl 2 ; they also simplify the calculation of the intensity of vibrational-rotational spectral lines of molecules belonging to this type. This work is a continuation of work [1], in which the form of the kinetic energy operator in orthogonal coordinates was obtained. To verify the expressions derived, the lower vibrational-rotational energy levels of the acetylene molecule are calculated.
ISSN:1024-8560
2070-0393
DOI:10.1134/S1024856023060155