The ro-vibrational spectroscopy of CH5+

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Event details

Date 23.07.2019
Hour 16:3017:30
Speaker Prof. Tucker Carrington
Queen's University, Canada
Location
Category Conferences - Seminars

I shall present methods for computing ro-vibrational energy levels of floppy molecules and results for CH5+.   Ro-vibrational energy levels of CH5+ are determined by fixing stretch coordinates, using a simple product basis, exploiting symmetry, and carefully parallelizing the calculation.   They are compared with the experimental ground state combination differences of Asvany et al. [Science, 347 1346 (2015)].    If the assignment of Asvany et al. is correct, there are important differences between the levels we compute and those observed.   We propose a different assignment of the experimental levels that reduces the maximum error from 34 to 2 cm-1.  The new assignment can only be correct if states of both parities exist in the experiment.   Although, ro-vibrational levels of   CH5+   cannot be associated with individual vibrational states, they do occur in blocks separated by gaps. 

Practical information

  • General public
  • Free
  • This event is internal

Organizer

Contact

  • Annick Gaudin Delmonaco

Tags

PCseminar

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