Towards efficient ab initio calculations of electron scattering by polyatomic molecules: I. Efficient numerical quadrature of the UGT term
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F10%3A00347177" target="_blank" >RIV/61388955:_____/10:00347177 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Towards efficient ab initio calculations of electron scattering by polyatomic molecules: I. Efficient numerical quadrature of the UGT term
Original language description
The UGU term was used as a model of the UGT term, and its evaluation by numerical quadrature was examined systematically with a training set of eight molecules. Minimum numbers of points have been determined for radial Gauss-Legendre and angular Lebedevquadratures that preserve the accuracy needed for practical applications. These quadratures are recommended for efficient calculation of electron scattering by polyatomic molecules.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2010
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Physics B-Atomic Molecular and Optical Physics
ISSN
0953-4075
e-ISSN
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Volume of the periodical
43
Issue of the periodical within the volume
17
Country of publishing house
GB - UNITED KINGDOM
Number of pages
6
Pages from-to
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UT code for WoS article
000281530200005
EID of the result in the Scopus database
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