Topological phase transitions in the vibration–rotation dynamics of an isolated molecule

One of the characteristic features of rotation–vibration dynamics is the existence of a variety of energy bands which result from organization of energy levels into bands depending on control parameters. Symmetry and topology aspects of the organization of energy bands and generic modifications of t...

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Bibliographic Details
Published in:Theoretical chemistry accounts 2014-07, Vol.133 (7), Article 1501
Main Authors: Iwai, T., Zhilinskii, B.
Format: Article
Language:English
Subjects:
Atomic/Molecular Structure and Spectra
Chemistry
Chemistry and Materials Science
Ezra Festschrift Collection
Inorganic Chemistry
Organic Chemistry
Physical Chemistry
Regular Article
Theoretical and Computational Chemistry
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Summary:One of the characteristic features of rotation–vibration dynamics is the existence of a variety of energy bands which result from organization of energy levels into bands depending on control parameters. Symmetry and topology aspects of the organization of energy bands and generic modifications of this structure for molecular systems with symmetry are discussed in a way parallel to the description of topological quantum transitions extensively studied in condensed matter physics. A special class of axially symmetric molecular systems is analyzed. It is shown that only a finite number of different band structures are possible for rotation–vibration problem with a finite number of vibrational states in the case of continuous axial symmetry, whereas for problems with finite group symmetry an arbitrary large number of different band structures are formally allowed.
ISSN:1432-881X
1432-2234
DOI:10.1007/s00214-014-1501-x