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Proceedings Paper

Modification of the Hamiltonian in the principal axes of inertia for nonrigid molecules
Author(s): Artyom Y. Tsaune; Mikhail P. Dyachenko
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Paper 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.

Paper Details

Date Published: 3 March 1997
PDF: 5 pages
Proc. SPIE 3090, 12th Symposium and School on High-Resolution Molecular Spectroscopy, (3 March 1997); doi: 10.1117/12.267811
Show Author Affiliations
Artyom Y. Tsaune, Ukrainian State Univ. of Chemical Technology (Ukraine)
Mikhail P. Dyachenko, Dnepropetrovsk State Univ. (Ukraine)

Published in SPIE Proceedings Vol. 3090:
12th Symposium and School on High-Resolution Molecular Spectroscopy
Leonid N. Sinitsa; Yurii N. Ponomarev; Valery I. Perevalov, Editor(s)

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