Relativistic effects in nuclear quadrupole coupling

被引:0
作者
Pekka Pyykkö
Michael Seth
机构
[1] Department of Chemistry,
[2] University of Helsinki,undefined
[3] P.O.Box 55,undefined
[4] FIN-00014 Helsinki,undefined
[5] Finland e-mail: Pekka.Pyykko@helsinki.fi,undefined
来源
Theoretical Chemistry Accounts | 1997年 / 96卷
关键词
Key Words: Relativistic corrections; Nuclear quadrupole coupling; Electric field gradients; Spin-orbit coupling;
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摘要
Relativistic effects strongly influence the nuclear quadrupole coupling of atoms, molecules or solids. As first shown by Casimir in 1936, in the atomic or single-centre case, for the two states j=l±s, three radial electric-field-gradient (EFG) integrals, R++,R+−, and R, must be introduced. The relativistic correction factors, defined for operator \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}\end{document} as\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}\end{document}
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页码:92 / 104
页数:12
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