LARGE MCHF CALCULATIONS ON THE HYPERFINE-STRUCTURE OF BE(3P0) - THE NUCLEAR-QUADRUPOLE MOMENT OF BE-9

被引：63

作者：

SUNDHOLM, D ^{[1
]}

OLSEN, J ^{[1
]}

机构：

[1] UNIV LUND,CTR CHEM,S-22100 LUND,SWEDEN

来源：

CHEMICAL PHYSICS LETTERS | 1991年 / 177卷 / 01期

基金：

芬兰科学院;

关键词：

D O I：

10.1016/0009-2614(91)90181-8

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：

The hyperfine parameters for Be(2s2p; P3(o)) are studied using numerical multiconfiguration Hartree-Fock (MCHF) calculations. A newly developed finite-element MCHF program allowing very large configuration-interaction expansions is used. The magnetic hyperfine parameters obtained are 9.2553(18), 0.30283(50) and -0.06569(10) au for the Fermi contact term, the orbital term, and the spin-dipolar term, respectively. The nuclear quadrupole moment determined by comparing the calculated electric field gradient with the experimental nuclear quadrupole coupling constant is Q(Be-9) = 0.05288(38) b.

引用

页码：91 / 97

页数：7

共 34 条

[1] N-14-N-15 HYPERFINE ANOMALY [J].