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Pregled bibliografske jedinice broj: 693095

Time-efficient numerical simulation of diatomic molecular spectra


Beuc, Robert; Movre, Mladen; Horvatić, Berislav
Time-efficient numerical simulation of diatomic molecular spectra // European physical journal D : atomic, molecular and optical physics, 68 (2014), 3; 59-1 doi:10.1140/epjd/e2014-40749-7 (međunarodna recenzija, članak, znanstveni)


CROSBI ID: 693095 Za ispravke kontaktirajte CROSBI podršku putem web obrasca

Naslov
Time-efficient numerical simulation of diatomic molecular spectra

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

Izvornik
European physical journal D : atomic, molecular and optical physics (1434-6060) 68 (2014), 3; 59-1

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
numerical simulation; diatomic molecular spectra; absorption

Sažetak
We present a quantum-mechanical procedure for calculating the photoabsorption spectra of diatomic molecules, entirely based on the Fourier grid Hamiltonian method for obtaining energies and the corresponding wave functions. Discrete and continuous spectrum contributions, which are the result of transitions between bound, free, and quasibound states of diatomic molecules were treated on the same footing. Using the classical Franck-Condon principle and the stationary-phase approximation, we also developed a “semiquantum” simulation method of the spectrum which allows an extremely time-efficient numerical algorithm, reducing the computer time by up to four orders of magnitude. The proposed method was tested on the absorption spectra of potassium molecules.

Izvorni jezik
Engleski

Znanstvena područja
Fizika



POVEZANOST RADA


Projekti:
035-0352851-3213 - Fizika atoma i molekula u ekstremnim uvjetima (Beuc, Robert, MZOS ) ( POIROT)

Ustanove:
Institut za fiziku, Zagreb

Profili:

Avatar Url Mladen Movre (autor)

Avatar Url Berislav Horvatić (autor)

Avatar Url Robert Beuc (autor)

Citiraj ovu publikaciju

Beuc, Robert; Movre, Mladen; Horvatić, Berislav
Time-efficient numerical simulation of diatomic molecular spectra // European physical journal D : atomic, molecular and optical physics, 68 (2014), 3; 59-1 doi:10.1140/epjd/e2014-40749-7 (međunarodna recenzija, članak, znanstveni)
Beuc, R., Movre, M. & Horvatić, B. (2014) Time-efficient numerical simulation of diatomic molecular spectra. European physical journal D : atomic, molecular and optical physics, 68 (3), 59-1 doi:10.1140/epjd/e2014-40749-7.
@article{article, year = {2014}, pages = {59-1-59-8}, DOI = {10.1140/epjd/e2014-40749-7}, keywords = {numerical simulation, diatomic molecular spectra, absorption}, journal = {European physical journal D : atomic, molecular and optical physics}, doi = {10.1140/epjd/e2014-40749-7}, volume = {68}, number = {3}, issn = {1434-6060}, title = {Time-efficient numerical simulation of diatomic molecular spectra}, keyword = {numerical simulation, diatomic molecular spectra, absorption} }
@article{article, year = {2014}, pages = {59-1-59-8}, DOI = {10.1140/epjd/e2014-40749-7}, keywords = {numerical simulation, diatomic molecular spectra, absorption}, journal = {European physical journal D : atomic, molecular and optical physics}, doi = {10.1140/epjd/e2014-40749-7}, volume = {68}, number = {3}, issn = {1434-6060}, title = {Time-efficient numerical simulation of diatomic molecular spectra}, keyword = {numerical simulation, diatomic molecular spectra, absorption} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus


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