ELFT HÍRADÓ

[tcsaba <tcsaba AT eik.bme.hu>]

                  M E G H Í V Ó - I N V I T A T I O N

    Seminar Series of the Department of Theoretical Physics at the
           Budapest University of Technology and Economics


                           Attila Császár
                (Department of Physical Chemistry,
                     Eötvös Loránd University)


                      Spectroscopic networks


Quantum mechanics builds large-scale graphs (networks): the  vertices 
are the discrete energy levels the quantum system possesses,  while the 
edges are the (quantum-mechanically allowed) transitions.  Parts of the 
complete quantum mechanical networks can be probed  experimentally via 
high-resolution, energy-resolved spectroscopic  techniques, while the 
complete rovibronic line list information for a  given molecule can only 
be obtained through sophisticated  quantum-chemical computations. 
Experiments as well as computations  yield what we call spectroscopic 
networks (SN).  First-principles SNs  of even small, 3- to 5-atomic 
molecules can be huge, including  billions of transitions and millions 
of enery levels. Besides helping  to interpret high-resolution spectra, 
the network-theoretical view  offers several ideas for improving the 
accuracy and robustness of the  increasingly important information 
systems containing line-by-line  spectroscopic data. A present-day 
application of spectroscopic  networks is within the MARVEL (Measured 
Active Rotational-Vibrational  Energy Levels) approach, whereby the 
transitions information of a  measured SN is turned into experimental 
energy levels via a weighted  linear least-squares refinement.

Időpont: 2016. szeptember 30. péntek, 10:15
Helyszín: BME Fizikai Intézet, Elméleti Fizika Tanszék,
Budafoki út 8. F-épület, III lépcsőház, szemináriumi szoba