THE NUCLEAR-QUADRUPOLE MOMENT OF LI - REFINED CALCULATIONS OF ELECTRIC-FIELD GRADIENTS IN LIH, LIF, AND LICL

被引：33
|
作者：
URBAN, M [1 ]
SADLEJ, AJ [1 ]
机构：
[1] UNIV LUND,CTR CHEM,S-22100 LUND,SWEDEN
来源：
CHEMICAL PHYSICS LETTERS | 1990年 / 173卷 / 2-3期
关键词：
D O I：
10.1016/0009-2614(90)80070-T
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
A series of high-level correlated calculations of the electric field gradient at the Li nucleus have been performed for LiH, LiF, and LiCl. The present results lead to a refined "molecular" value of the nuclear quadrupole moment of 7Li, Q(7Li)=-4.01 e fm2 which is an excellent agreement with the most recent result (-4.03±0.06 e fm2) derived from the nuclear scattering data. © 1990.
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页码：157 / 163
页数：7
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