Rotational dependences of diatomic and triatomic molecule in classical limit

B. I. Zhilinskii; Sergei V. Petrov

doi:10.1117/12.131148

1 July 1992 Rotational dependences of diatomic and triatomic molecule in classical limit

B. I. Zhilinskii, Sergei V. Petrov

Proceedings Volume 1811, Tenth All-Union Symposium and School on High-Resolution Molecular Spectroscopy; (1992) https://doi.org/10.1117/12.131148
Event: Tenth All-Union Symposium and School on High Resolution Molecular Spectroscopy, 1991, Omsk, Russian Federation

Abstract

The manifestations of rotation-vibration interaction are of fundamental significance for the spectroscopy of highly excited states and weakly bound clusters. In the present report, we wish to analyze the qualitative changes in molecular states and their quantitative description under the variation of some external parameters. For example, the parameters may play the role of integrals of motion such as the energy, the angular momentum, etc. Although there have been several fully quantum-mechanical calculations of rovibrational states for realistic molecular Hamiltonians at low angular momentum, the study of high angular momentum states necessitates a classical (or semiclassical) approach. In standard variational method the basis of harmonic or anharmonic oscillator functions and rigid top wave functions grows quickly with increasing angular momentum quantum number J. The quantum-mechanical methods are also inconvenient for the physical interpretation of rovibrational nonlinear dynamics. A combination of two methodologies (classical and quantum) would be very useful in computations as well as in the interpretation of the behavior of excited molecules. In this report we want to obtain rotational dependences of molecules in the framework of classical approach assuming the adiabatic potential surfaces to be known.

Citation Download Citation

B. I. Zhilinskii and Sergei V. Petrov "Rotational dependences of diatomic and triatomic molecule in classical limit", Proc. SPIE 1811, Tenth All-Union Symposium and School on High-Resolution Molecular Spectroscopy, (1 July 1992); https://doi.org/10.1117/12.131148

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