Relationships between radial and momentum expectation values of atoms within the Hartree-Fock approximation

被引:8
|
作者
Tao, JM [1 ]
Li, GB
Li, JM
机构
[1] Univ Sci & Technol China, Dept Chem Phys, Hefei 230026, Anhui, Peoples R China
[2] Yunnan Normal Univ, Dept Chem, Kunming 650092, Yunnan, Peoples R China
关键词
D O I
10.1088/0953-4075/31/9/008
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Relationships between radial and momentum expectation values (r(n)) and (p(n)) of atoms within the Hartree-Fock approximation are derived using the maximum-information-entropy principle in information theory. These relationships are based on semiclassical relationships of the Thomas-Fermi theory for atoms. The relationships presented are numerically studied and discussed within the Hartree-Fock framework. Atomic units are used throughout the paper.
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页码:1897 / 1909
页数:13
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