Theoretical investigation of boundary contours of ground-state atoms in uniform electric fields

被引:1
|
作者
Shi, Hua [1 ,2 ,3 ]
Zhao, Dong-Xia [1 ]
Yang, Zhong-Zhi [1 ]
机构
[1] Liaoning Normal Univ, Sch Chem & Chem Engn, Dalian, Peoples R China
[2] Dalian Ocean Univ, Sch Sci, Dalian, Peoples R China
[3] Dalian Ocean Univ, Key Lab Marine Biophys Liaoning Prov, Dalian, Peoples R China
基金
中国国家自然科学基金;
关键词
electric field; atomic boundary contours; the mean variation rate of atomic radial sizes; atomic polarisability; INTRINSIC CHARACTERISTIC CONTOURS; ANO BASIS-SETS; DIPOLE POLARIZABILITIES; STRUCTURE PRINCIPLES; MOLECULAR-CRYSTALS; REFRACTIVE INDICES; RADII; POLARIZATION; REVISION; CLUSTERS;
D O I
10.1080/00268976.2015.1063728
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
The boundary contours were investigated for first 54 ground-state atoms of the periodic table when they are in uniform electric fields of strengths 10(6), 10(7) and 10(8) V/m. The atomic characteristic boundary model in combination with an ab-initio method was employed. Some regularities of the deformation of atoms, R, in above electric fields are revealed. Furthermore, atomic polarisabilities of the first 54 elements of the periodic table are shown to correlate strongly with the mean variation rate of atomic radial size divided by the strength of the electric field F, , which provides a predictive method of calculating atomic polarisabilities of 54 atoms.
引用
收藏
页码:3801 / 3808
页数:8
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