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中国物理学会期刊

金属电子关联函数的实空间变分计算

CSTR: 32037.14.aps.35.598

THE REAL SPACE CALCULATION FOR THE CORRELATION FUNCTION OF METALLIC ELECTRONS

CSTR: 32037.14.aps.35.598
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  • 本文求解了在相关基函数理论框架下得到的实空间关联函数的积分方程,得到了金属铝(rs=2.07)和铯(rs=5.65)的关联函数,关联能和多体波函数。改进了其它多体理论,本文得到的关联函数是恒正的,并且满足归一化条件。

     

    On the basis of the correlated wave function theory, we have solved the real space integral equation for the pair correlation function, and obtained the pair correlation function, correlation energy and many-body wave function for the metals Al (rs=2.07) and Cs (rs=5.65). This work improves on the imperfections of other many-body theories. The pair correlation functions obtained in this paper are positive definite and satisfy the normalization condition.

     

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