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PRODID:-//Memento EPFL//
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SUMMARY:Recent Advances in Semiclassical Vibrational Spectroscopy
DTSTART:20220719T160000
DTEND:20220719T170000
DTSTAMP:20260509T203634Z
UID:8316cd287091187f09eaf97c9de6fc31f1690d47087a7b9b86ccff02
CATEGORIES:Conferences - Seminars
DESCRIPTION:Dr. Riccardo Conte\, Università degli studi di Milano\nSemicl
 assical dynamics is nowadays widely employed for calculation and interpret
 ation of vibrational and vibronic spectra. In this talk I will focus on re
 cent methodological advances for calculation of vibrational spectra on the
  ground electronic state. After a brief summary of different ways to deal 
 with the issue of the potential energy surface (PES)\, I will focus on the
  description of the adiabatically switched semiclassical initial value rep
 resentation technique\, pointing out the advances the approach brings in a
 nd demonstrating it with an application to the open problem of proline vib
 rational spectrum. Finally\, I will illustrate a recently developed method
  to get IR intensities starting from power spectra\, which is easy to inte
 rface to all semiclassical approaches developed for the calculation of vib
 rational frequencies.
LOCATION:BCH 3118 https://plan.epfl.ch/?q=bch%203118&dim_floor=3&lang=en&d
 im_lang=en&tree_groups=centres_nevralgiques%2Cacces%2Cmobilite_reduite%2Ce
 nseignement%2Ccommerces_et_services%2Cvehicules%2Cinfrastructure_plan_
STATUS:CONFIRMED
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