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SUMMARY:The ro-vibrational spectroscopy of CH5+
DTSTART:20190723T163000
DTEND:20190723T173000
DTSTAMP:20260506T020323Z
UID:00b18205d4befa86b3c874eaff1c4af2658ec870ce811dfde97248fd
CATEGORIES:Conferences - Seminars
DESCRIPTION:Prof. Tucker Carrington\nQueen's University\, Canada\nI shall 
 present methods for computing ro-vibrational energy levels of floppy molec
 ules and results for CH5+.   Ro-vibrational energy levels of CH5+ are de
 termined by fixing stretch coordinates\, using a simple product basis\, ex
 ploiting 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 Asv
 any et al. is correct\, there are important differences between the levels
  we compute and those observed.   We propose a different assignment of t
 he 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 i
 n the experiment.   Although\, ro-vibrational levels of   CH5+   can
 not be associated with individual vibrational states\, they do occur in bl
 ocks separated by gaps. 
LOCATION:CH G1 495 https://plan.epfl.ch/?room==CH%20G1%20495
STATUS:CONFIRMED
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