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Towards an accurate determination of the nuclear quadrupole moment of Li from molecular data: LiF

✍ Scribed by Geerd H.F. Diercksen; Andrzej J. Sadlej; Dage Sundholm; Pekka Pyykkö

Publisher: Elsevier Science
Year: 1988
Tongue: English
Weight: 523 KB
Volume: 143
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(88)87031-3

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✦ Synopsis

Fully numerical two-dimensional Hat-tree-Fock and Gaussian basis set fourth-order MBPT calculations are used to evaluate accurately the electric field gradient at Li in LiF. With the aid of the microwave data for LiF and theoretical values of the electric field gradient at Li the "molecular" value of the nuclear quadrupole moment of 'Li is obtained to be Q('Li) = -0.04055 (80) b.

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