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Description
| - V současné době je běžné modelovat optická spektra pomocí numerických simulací. Ale tento postup není snadný. Existuje několik problémů, které způsobují nedostatečné překrytí modelovaného spektra s experimentálně získaným spektrem - spektra jsou posunutá. Neidealita překrytí rotačních hladin je nejvícezřetelná ve vyšších hodnotách kvantových rotačních čísel. Stejný effect je pozorovatelný na pozicích hlav vibračních pásů. Jeden z důvodů způsobujících tuto skutečnost je první aproximace, která se používáá v rovnicích simulovaných optických spekter. K dalším problémům patří pravděpodobnost přechodu, která je dána konstantou, a také molekulové konstanty, jejichž hodnoty nejsou přesně známy a různé zdroje tak udávají jiné hodnoty. I přes tyto efekty a nepřesnosti mezi simulovaným a měřeným spektrem je možné používat vypočítané spektrum k analýze experimentálně získaných spekter. (cs)
- 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 function that
- 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 function that (en)
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Title
| - Problémy s numerickou simulací optických spekter (cs)
- Problems with Numerical Simulations of Optical Spectra
- Problems with Numerical Simulations of Optical Spectra (en)
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skos:prefLabel
| - Problémy s numerickou simulací optických spekter (cs)
- Problems with Numerical Simulations of Optical Spectra
- Problems with Numerical Simulations of Optical Spectra (en)
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skos:notation
| - RIV/00216305:26310/04:PU47579!RIV06-GA0-26310___
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http://linked.open.../vavai/riv/strany
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
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http://linked.open...vai/riv/dodaniDat
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http://linked.open...aciTvurceVysledku
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http://linked.open.../riv/druhVysledku
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http://linked.open...iv/duvernostUdaju
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http://linked.open...titaPredkladatele
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http://linked.open...dnocenehoVysledku
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http://linked.open...ai/riv/idVysledku
| - RIV/00216305:26310/04:PU47579
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - Numerical simulation, optical spectra, modelling, experimental spectra (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...ontrolniKodProRIV
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http://linked.open...v/mistoKonaniAkce
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http://linked.open...i/riv/mistoVydani
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http://linked.open...i/riv/nazevZdroje
| - Proceedings of Molecular Quantum Mechanics: The No Nonsense Path to Progress
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http://linked.open...in/vavai/riv/obor
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http://linked.open...ichTvurcuVysledku
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http://linked.open...cetTvurcuVysledku
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http://linked.open...vavai/riv/projekt
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http://linked.open...UplatneniVysledku
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http://linked.open...iv/tvurceVysledku
| - Krčma, František
- Šormová, Hana
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http://linked.open...vavai/riv/typAkce
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http://linked.open.../riv/zahajeniAkce
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number of pages
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http://purl.org/ne...btex#hasPublisher
| - Cambridge University Press
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http://localhost/t...ganizacniJednotka
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