Four-Reference State-Specific Brillouin-Wigner Coupled-Cluster Method: Study of the IBr Molecule.
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F01%3A54010260" target="_blank" >RIV/61388955:_____/01:54010260 - 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
Four-Reference State-Specific Brillouin-Wigner Coupled-Cluster Method: Study of the IBr Molecule.
Original language description
We implemented the state-specific Brillouin-Wigner coupled-cluster method for the complete model space spawned by four reference configurations generated by two electrons in two active orbitals. We applied the method (together with previously suggested aposteriori size-extensivity correction) to the calculation of spectroscopic constants of the Ibr molecule, using a relativistic effective core potential.
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
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2001
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
International Journal of Molecular Sciences
ISSN
1422-0067
e-ISSN
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Volume of the periodical
2
Issue of the periodical within the volume
N/A
Country of publishing house
US - UNITED STATES
Number of pages
9
Pages from-to
281-290
UT code for WoS article
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EID of the result in the Scopus database
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