State-specific Brillouin-Wigner Multireference Coupled Cluster Study of the F 2 Molecule: Assessment of the a Posteriori Size-extensivity Correction.

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F01%3A54010113" target="_blank" >RIV/61388955:_____/01:54010113 - isvavai.cz</a>
Alternative codes found
RIV/47813059:19240/01:#0001974
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
State-specific Brillouin-Wigner Multireference Coupled Cluster Study of the F 2 Molecule: Assessment of the a Posteriori Size-extensivity Correction.
Original language description
We tested a posteriori correction suggested previously for the state-specific multireference Brillouin-Wigner coupled-cluster singles and doubles (MR BW CCSD) theory, to eliminate its size-extensivity error. The correction was applied to a two-referenceBW CCSD model by using the cc-pVXY basis sets (X=2,3,4) and it was tested by calculating the spectroscopic constants of the F2 molecule.
Czech name
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Czech description
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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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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)

Publication year
2001
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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