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Determination of the 23Na nuclear quadrupole moment from molecular data for NaF and NaCl

✍ Scribed by Pekka Pyykkö; Andrzej J. Sadlej

Publisher: Elsevier Science
Year: 1994
Tongue: English
Weight: 783 KB
Volume: 227
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(94)00780-2

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✦ Synopsis

High-level correlated calculations of the electric field gradient at Na in NaF and NaCl have been carried out with large basis sets of Gaussian functions. The singles and doubles coupled-cluster results corrected noniteratively for the effects of three-body clusters have been combined with microwave spectroscopic data to yield a new 'molecular' value of the nuclear quadrupole moment of "Na, Q( 23Na) = 104 mb, whose uncertainty is expected to be not worse than about 1%. The present 'molecular' result for Q( 23Na) lies between the two currently most reliable values obtained from atomic spectra (107.1(2.1) mb) and muonic experiments ( 100.6( 2.0) mb).

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