The magnetizability anisotropy and rotational g factor of deuterium hydride and the deuterium molecule

被引:15
作者
Astrand, PO
Ruud, K
Mikkelsen, KV
Helgaker, T
机构
[1] LINKOPING UNIV,INST PHYS & MEASUREMENT TECHNOL,S-58183 LINKOPING,SWEDEN
[2] UNIV OSLO,DEPT CHEM,N-0315 OSLO,NORWAY
关键词
D O I
10.1016/S0009-2614(97)00429-6
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
We present accurate ab initio results for the rotational g factor and the magnetizability anisotropy of the HD and D-2 molecules, comparing with molecular-beam experiments and other theoretical results. We have also calculated other data available from molecular-beam experiments such as the electronic contribution to the quadrupole moment and the expectation value of R-3. All calculated data are in good agreement with experiment.
引用
收藏
页码:163 / 166
页数:4
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