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Time-efficient numerical simulation of diatomic molecules' emission and absorption spectra


Beuc, Robert; Movre, Mladen; Gatalica, Goran; Horvatić, Berislav
Time-efficient numerical simulation of diatomic molecules' emission and absorption spectra // Programme and Book of Abstracts of the JVC-14 (14th Joint Vacuum Conference) / EVC-12 (12th European Vacuum Conference) / AMDVG-11 (11th Annual Meeting of the German Vacuum Society) / CroSloVM-19 (19th Croatian-Slovenian Vacuum Meeting) / Radić, Nikola ; Milošević, Slobodan (ur.).
Zagreb: Croatian Vacuum Society, 2012. str. 154-154 (poster, sažetak, znanstveni)


Naslov
Time-efficient numerical simulation of diatomic molecules' emission and absorption spectra

Autori
Beuc, Robert ; Movre, Mladen ; Gatalica, Goran ; Horvatić, Berislav

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
Programme and Book of Abstracts of the JVC-14 (14th Joint Vacuum Conference) / EVC-12 (12th European Vacuum Conference) / AMDVG-11 (11th Annual Meeting of the German Vacuum Society) / CroSloVM-19 (19th Croatian-Slovenian Vacuum Meeting) / Radić, Nikola ; Milošević, Slobodan - Zagreb : Croatian Vacuum Society, 2012, 154-154

ISBN
978-953-98154-1-5

Skup
JVC-14 (14th Joint Vacuum Conference) / EVC-12 (12th European Vacuum Conference) / AMDVG-11 (11th Annual Meeting of the German Vacuum Society) / CroSloVM-19 (19th Croatian-Slovenian Vacuum Meeting)

Mjesto i datum
Dubrovnik, Hrvatska, 4 - 8. 07. 2012.

Vrsta sudjelovanja
Poster

Vrsta recenzije
Neobjavljeni rad

Ključne riječi
Diatomic molecules; emission and absorption spectra; numerical simulation

Sažetak
We developed a full quantum mechanical procedure for calculating the emission and absorption spectra of diatomic molecules in dense weakly ionized plasma at high temperatures. Discrete and continuous spectrum contributions, which are the result of transitions between bound, free, and quasi-bound states of diatomic molecules were treated on the same footing. Using the stationary-phase approximation and the classical Franck-Condon principle, we developed a “semi-quantum” simulation method of the spectrum, which allows a time-efficient algorithm, suitable for use in the spectroscopic data analysis. Theoretical results we obtained were tested by comparison with experimental absorption spectra of potassium molecules at different temperatures. If accurate molecular electronic potential curves and corresponding electronic transition dipole moments are known, it is possible, by using the fast “semi-quantum” approach and comparing the obtained theoretical spectra with experimental data, to determine the temperature and number density of molecules in real time.

Izvorni jezik
Engleski

Znanstvena područja
Fizika



POVEZANOST RADA


Projekt / tema
035-0352851-3213 - Fizika atoma i molekula u ekstremnim uvjetima (Robert Beuc, )

Ustanove
Institut za fiziku, Zagreb