Reduced dimension rovibrational variational calculations of the S[subscript 1] state of C[subscript 2]H[subscript 2]. II. The S[subscript 1] rovibrational manifold and the effects of isomerization

Reduced dimension variational calculations have been performed for the rovibrational level structure of the S[subscript 1] state of acetylene. The state exhibits an unusually complicated level structure, for various reasons. First, the potential energy surface has two accessible conformers, trans an...

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Bibliographic Details
Main Authors: Changala, Peter Bryan, Baraban, Joshua H., Stanton, John F., Merer, Anthony J., Field, Robert W.
Other Authors: Massachusetts Institute of Technology. Department of Chemistry
Format: Article
Language:en_US
Published: American Institute of Physics (AIP) 2015
Online Access:http://hdl.handle.net/1721.1/96219
https://orcid.org/0000-0002-7609-4205