Short- and long-range behavior of the inner and outer densities

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作者
Toshikatsu Koga
Hisashi Matsuyama
机构
[1] Muroran Institute of Technology,Department of Applied Chemistry
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Short-range behavior; Long-range behavior; Inner density; Outer density;
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摘要
We report the short- and long-range behavior of the inner \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$ \rho_<(r) $$\end{document} and outer \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$ \rho_>(r) $$\end{document} densities, which result from a rigorous partitioning of the spherically averaged one-electron density \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$ \rho(r) $$\end{document} in many-electron atoms. It is found that for a small r, \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$ \rho_<(r) $$\end{document} has one-electron nature but \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$ \rho_>(r) $$\end{document} has two-electron nature. For a large r, however, the opposite is true.
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页码:267 / 270
页数:3
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