Problémy s numerickou simulací optických spekter

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26310%2F04%3APU47579" target="_blank" >RIV/00216305:26310/04:PU47579 - isvavai.cz</a>

Výsledek na webu

—

DOI - Digital Object Identifier

—

Jazyk výsledku

angličtina

Název v původním jazyce

Problems with Numerical Simulations of Optical Spectra

Popis výsledku v původním jazyce

Currently it is frequent to model the optical spectra by the numerical simulations. But this activity is not easy. There are some problems that cause an imperfect overlap of the modelling spectrum with the experimentally obtained spectrum - the spectra are shifted. The non-ideal overlap of the rotational levels is the most distinctive in the higher values of the quantum rotational number. The same effect is observed in the positions of the vibrational band heads. One of the reasons causing this situatiion is the first approximation, which is used in the equations simulating optical spectra. To the other problems belongs probability of the transition that is given as constant and also the molecular constants whose values are not known exactly and various sources of them indicate different values. To the non-ideal overlap of experimentally and simulated spectrum contribute the approximation of the rotational line's profile - usually by the Gaussian profile and the shape of the apparatus

Název v anglickém jazyce

Problems with Numerical Simulations of Optical Spectra

Popis výsledku anglicky

Currently it is frequent to model the optical spectra by the numerical simulations. But this activity is not easy. There are some problems that cause an imperfect overlap of the modelling spectrum with the experimentally obtained spectrum - the spectra are shifted. The non-ideal overlap of the rotational levels is the most distinctive in the higher values of the quantum rotational number. The same effect is observed in the positions of the vibrational band heads. One of the reasons causing this situatiion is the first approximation, which is used in the equations simulating optical spectra. To the other problems belongs probability of the transition that is given as constant and also the molecular constants whose values are not known exactly and various sources of them indicate different values. To the non-ideal overlap of experimentally and simulated spectrum contribute the approximation of the rotational line's profile - usually by the Gaussian profile and the shape of the apparatus

Druh

D - Stať ve sborníku

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

—

Projekt

<a href="/cs/project/GD202%2F03%2FH162" target="_blank" >GD202/03/H162: Pokročilé směry ve fyzice a chemii plazmatu</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2004

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název statě ve sborníku

Proceedings of Molecular Quantum Mechanics: The No Nonsense Path to Progress

ISBN

NEUVEDENO

ISSN

—

e-ISSN

—

Počet stran výsledku

4

Strana od-do

—

Název nakladatele

Cambridge University Press

Místo vydání

Cambridge

Místo konání akce

Cambridge

Datum konání akce

24. 7. 2004

Typ akce podle státní příslušnosti

WRD - Celosvětová akce

Kód UT WoS článku

—