Gaussian basis sets for highly excited and resonance states of helium
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F13%3A00425378" target="_blank" >RIV/68378271:_____/13:00425378 - isvavai.cz</a>
Alternative codes found
RIV/61388955:_____/13:00395903
Result on the web
<a href="http://dx.doi.org/10.1063/1.4772468" target="_blank" >http://dx.doi.org/10.1063/1.4772468</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1063/1.4772468" target="_blank" >10.1063/1.4772468</a>
Alternative languages
Result language
angličtina
Original language name
Gaussian basis sets for highly excited and resonance states of helium
Original language description
A consistent method for optimizing Gaussian primitives for Rydberg and multiply excited helium states is designed. A novel series for the "exponentially tempered Gaussians" is introduced, which is markedly more efficient than the commonly used series ofeven tempered Gaussians. The optimization is made computationally feasible due to an approximate calculation of excited states using the effective one-electron Hamiltonian that is defined as Fockian from which the redundant Coulomb and exchange terms aredropped. Finally, ExTG5G and ExTG7F Gaussian basis sets are proposed. They enable calculations of the helium spectrum all the way from the ground state up to the (5, 4)5?1Se and (6, 5)7?1Se doubly excited resonances, respectively, mostly in the spectroscopic accuracy of 1 cm-1.
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
BL - Plasma physics and discharge through gases
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
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2013
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 Chemical Physics
ISSN
0021-9606
e-ISSN
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Volume of the periodical
138
Issue of the periodical within the volume
2
Country of publishing house
US - UNITED STATES
Number of pages
17
Pages from-to
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UT code for WoS article
000313642500011
EID of the result in the Scopus database
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