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A correlated basis-function description of 16O with realistic interactions

✍ Scribed by M.C. Boscá


Book ID
107983923
Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
669 KB
Volume
567
Category
Article
ISSN
0375-9474

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The present study examines the feasibility of combining the correlation-consistent basis sets developed by Dunning and coworkers with the hybrid Hartree᎐Fockrdensity functional method B3LYP. Furthermore, Ž . extrapolation to the complete basis set CBS limit minimizes errors due to the presence of an