Title of article
The nuclear quadrupole moment of 91Zr from molecular data for ZrO and ZrS
Author/Authors
Ingrid and Kellِ، نويسنده , , Vladimir and Pyykkِ، نويسنده , , Pekka and Sadlej، نويسنده , , Andrzej J. and Schwerdtfeger، نويسنده , , Peter and Thyssen، نويسنده , , Jّrn، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2000
Pages
10
From page
222
To page
231
Abstract
Quasirelativistic Douglas–Kroll calculations at levels up to CCSD(T), combined with the recent experimental zirconium nuclear quadrupole coupling constants for diatomic ZrO and ZrS, yield a Q(91Zr) of −176(3) millibarn (mb; 1 barn is 10−28 m2). This value is supported by fully relativistic CCSD(T) calculations using a slightly smaller basis. The new Q(Zr) is much smaller than the available `atomicʹ values of −206 to −257 mb.
Journal title
Chemical Physics Letters
Serial Year
2000
Journal title
Chemical Physics Letters
Record number
1781297
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