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SUMMARY:The ro-vibrational spectroscopy of CH5+
DTSTART:20190723T163000
DTEND:20190723T173000
DTSTAMP:20260917T164404Z
UID:d7c6a4abd93393027d3c4eef87deb0a179e45d634459b486fab11290
CATEGORIES:Conferences - Seminars
DESCRIPTION:Profesor Tucker Carrington\, Queen's University\, Canada. Tuck
 er Carrington received his Ph.D. in theoretical chemistry from the Univers
 ity of California at Berkeley.   After graduating in 1985\, he took up a
  postdoctoral fellowship at the Physical Chemistry Laboratory of the Eidge
 noessische Technische Hochschule Zurich.    After a year as a research a
 ssociate at the National Research Council of Canada (collaborating with P.
  R. Bunker)\, he joined the Department of Chemistry at the University of M
 ontreal.  He rose through the 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 results for CH5+.   Ro-vibrational energy levels o
 f CH5+ are determined by fixing stretch coordinates\, using a simple produ
 ct basis\, exploiting symmetry\, and carefully parallelizing the calculati
 on.   They are compared with the experimental ground state combination d
 ifferences of Asvany et al. [Science\, 347 1346 (2015)].    If the assi
 gnment of Asvany et al. is correct\, there are important differences betwe
 en the levels we compute and those observed.   We propose a different as
 signment 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 par
 ities exist in the experiment.   Although\, ro-vibrational levels of  
  CH5+   cannot be associated with individual vibrational states\, they d
 o 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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