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On the ab initio calculation of a pairing gap in atomic nuclei

✍ Scribed by S. S. Pankratov; M. Baldo; M. V. Zverev; U. Lombardo; E. E. Saperstein; S. V. Tolokonnikov


Book ID
110169248
Publisher
SP MAIK Nauka/Interperiodica
Year
2009
Tongue
English
Weight
258 KB
Volume
90
Category
Article
ISSN
0021-3640

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The gauge-independent atomic orbital (GIAO) approach is used within the coupled Hartree-Fock (CHF) approximation to compute the oxygen NMR shielding constant in the carbooyl group for a series of molecules. We apply a correction to account for the correlation effects which is based on the comparison