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SUMMARY:The ro-vibrational spectroscopy of CH5+
DTSTART:20190723T163000
DTEND:20190723T173000
DTSTAMP:20260506T015748Z
UID:5f74a8a7a24557d4574e0e7fae6bb5c54743ae54cf140def57bd1dcc
CATEGORIES:Conferences - Seminars
DESCRIPTION:Professor Tucker Carrington.\nTucker Carrington received his P
 h.D. in theoretical chemistry from the University of California at Berkele
 y.   After graduating in 1985\, he took up a postdoctoral fellowship at 
 the Physical Chemistry Laboratory of the Eidgenoessische Technische Hochsc
 hule Zurich.    After a year as a research associate at the National Res
 earch Council of Canada (collaborating with P. R. Bunker)\, he joined the 
 Department of Chemistry at the University of Montreal.  He rose through t
 he ranks and was promoted to Professor in 1998.  Tucker Carrington is now
  a Canada Research Chair at Queen's University. \nI shall present methods
  for computing ro-vibrational energy levels of floppy molecules and result
 s 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 e
 xperimental 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 observe
 d. We propose a different assignment of the experimental levels that reduc
 es the maximum error from 34 to 2 cm-1. The new assignment can only be cor
 rect if states of both parities exist in the experiment. Although\, ro-vib
 rational levels of CH5+ cannot be associated with individual vibrational s
 tates\, they do occur in blocks separated by gaps. \n 
LOCATION:CH G1 495 https://plan.epfl.ch/?room==CH%20G1%20495
STATUS:CONFIRMED
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