Compelete basis set (CBS) CCSD(T) hybrid gradient geometry optimization
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F86652036%3A_____%2F10%3A00340877" target="_blank" >RIV/86652036:_____/10:00340877 - 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
Compelete basis set (CBS) CCSD(T) hybrid gradient geometry optimization
Original language description
The program performs geometry optimization based on MP2 gradients extrapolated to the approximate complete basis set limit, augmented with the CCSD(T) hybrid gradient correction
Czech name
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Czech description
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Classification
Type
R - Software
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
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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
Internal product ID
ccsd(t)_cbs_opt
Technical parameters
BASH skript, licence GPL 3
Economical parameters
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Owner IČO
86652036
Owner name
Biotechnologický ústav AV ČR, v. v. i.