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Publication Citation: Strategies for Advanced Applications of Permutation-Inversion Groups to the Microwave Spectra of Molecules with Large Amplitude Motions

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Author(s): Jon T. Hougen;
Title: Strategies for Advanced Applications of Permutation-Inversion Groups to the Microwave Spectra of Molecules with Large Amplitude Motions
Published: May 04, 2009
Abstract: This article presents permutation-inversion group-theoretical strategies and recipes that will help a high-resolution molecular spectroscopist attempting to use the existing pedagogical literature to carry out their own treatment of the basic symmetry questions in rotating molecules with large-amplitude vibrational motions. Topics addressed include determination of the feasible permutation-inversion group and its symmetry species and character table, a general equation defining coordinates that can describe translation, overall rotation, large-amplitude vibrations and small-amplitude vibrations for a large class of floppy molecules, and the determination of symmetry species for basis functions and selection rules for operators written in these coordinates. The article is intended to be more advanced than existing pedagogical works, but it still leaves many important topics untreated.
Citation: Journal of Molecular Spectroscopy
Volume: 256
Pages: pp. 170 - 185
Keywords: character table; feasible permutation-inversions; group theory; molecule-fixed coordinates; PI symmetry operations; selection rules
Research Areas: Molecular Physics, Chemical Physics
PDF version: PDF Document Click here to retrieve PDF version of paper (357KB)