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[Fizinfo] BME Elméleti Fizika Tanszék szemináriuma

Chronological Thread 
  • From: tcsaba <tcsaba AT>
  • To: fizinfo AT
  • Subject: [Fizinfo] BME Elméleti Fizika Tanszék szemináriuma
  • Date: Fri, 23 Sep 2016 15:30:38 +0200

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

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