Potential surface symmetry and vibronic wave functions for methane cation

In attempting to understand the ground vibronic state of CH+4, a new formalism was developed for discussing molecular symmetry groups. Various diabatic basis sets and approximations for Jahn–Teller vibronic problems were examined, using the relatively simple E⊗e case. Finally, the symmetries and for...

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Bibliographic Details
Published in:The Journal of chemical physics 1991-11, Vol.95 (9), p.6551-6561
Main Authors: REEVES, M. S, DAVIDSON, E. R
Format: Article
Language:English
Subjects:
Atomic and molecular physics
Exact sciences and technology
Molecular properties and interactions with photons
Molecular spectra
Physics
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Summary:In attempting to understand the ground vibronic state of CH+4, a new formalism was developed for discussing molecular symmetry groups. Various diabatic basis sets and approximations for Jahn–Teller vibronic problems were examined, using the relatively simple E⊗e case. Finally, the symmetries and form of the ground vibronic states of CH+4 were produced.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.461525