Modification of the Hamiltonian in the principal axes of inertia for nonrigid molecules

Artyom Y. Tsaune; Mikhail P. Dyachenko

doi:10.1117/12.267811

3 March 1997 Modification of the Hamiltonian in the principal axes of inertia for nonrigid molecules

Artyom Y. Tsaune, Mikhail P. Dyachenko

Proceedings Volume 3090, 12th Symposium and School on High-Resolution Molecular Spectroscopy; (1997) https://doi.org/10.1117/12.267811
Event: 12th Symposium and School on High Resolution Molecular Spectroscopy, 1996, St. Petersburg, Russian Federation

Abstract

Advantages of Hamiltonians in the principal axes of inertia which are used for studying nonrigid molecules are set forth. Representation of orbital angular momentum through non-holonomic components of rotations of dynamical axes is stated. Peculiarities of three modifications of rovibronic Hamiltonians are considered, with (1) the dynamical axes are associated with the nuclear subsystem; (2) nuclei and electrons are treated uniformly when the principal axes are brought into use; (3) a Hamiltonian of linear molecules is represented as the Hamiltonian in the principal axes. Special attention is paid to the use of non-holonomic variables.

Citation Download Citation

Artyom Y. Tsaune and Mikhail P. Dyachenko "Modification of the Hamiltonian in the principal axes of inertia for nonrigid molecules", Proc. SPIE 3090, 12th Symposium and School on High-Resolution Molecular Spectroscopy, (3 March 1997); https://doi.org/10.1117/12.267811

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