On the relation between the operators of physical quantities of a nonrigid molecule and the symmetry of its equilibrium configurations

The problem of changes in the expressions for effective operators of physical quantities (including an effective Hamiltonian) of a nonrigid molecule upon a change in its equilibrium configurations, in the case in which different possible geometries of such configurations correspond to different poin...

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Bibliographic Details
Published in:Optics and spectroscopy 2017-07, Vol.123 (1), p.1-7
Main Author: Burenin, A. V.
Format: Article
Language:English
Subjects:
Electron states
Lasers
Operators
Optical Devices
Optics
Photonics
Physics
Physics and Astronomy
Spectroscopy of Atoms and Molecules
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Summary:The problem of changes in the expressions for effective operators of physical quantities (including an effective Hamiltonian) of a nonrigid molecule upon a change in its equilibrium configurations, in the case in which different possible geometries of such configurations correspond to different point groups, is considered for the example of the nonrigid dimethylacetylene molecule CH 3 C 2 CH 3 in the ground electronic state.
ISSN:0030-400X
1562-6911
DOI:10.1134/S0030400X17070050