EXCITED STATES OF CH$_5^+$ BY DIFFUSION MONTE CARLO
Publisher:
Ohio State UniversityAbstract:
Understanding the spectrum of CH$_5^+$ is a problem of long standing interest. Of particular interest is gaining a better understanding of the two high resolution spectra; one observed by White et. al {}}, and one that is partially assigned observed by the Nesbitt group. {}} Using excited state Diffusion Monte Carlo techniques in combination with symmetry adapted linear combinations of the internal coordinates of CH$_5^+$, obtained from group theoretical analysis of the G$_{240}$ CNPI group, we investigate the nature of the vibrationally, and rotationally excited states of CH$_5^+$. By probing CH$_5^+$ using these methods, we find that we are able to gain insights into the effects of the internal rotor motions of vibrationally excited states of CH$_5^+$.
Description:
E. T. White, J. Tang, T. Oka, Science 284, 135 (1999).X. Huang., A. B. McCoy, J. M. Bowman, L. M. Johnson, C. Savage, F. Dong, D. J. Nesbitt, Science 311, 60 (2006).
Author Institution: Department of Chemistry, The Ohio State University, Columbus; OH 43210
Author Institution: Department of Chemistry, The Ohio State University, Columbus; OH 43210
Type:
ArticleOther Identifiers:
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