Atomic energies from electrostatic potentials at nuclei: direct evaluation

被引:4
|
作者
Politzer, P [1 ]
Ma, YG [1 ]
Jalbout, AF [1 ]
Murray, JS [1 ]
机构
[1] Univ New Orleans, Dept Chem, New Orleans, LA 70148 USA
关键词
electrostatic potentials; atomic energies;
D O I
10.1080/00268970500084067
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
We have calculated the energies of a series of atoms by means of an exact relationship that formally requires integrating over the electrostatic potentials at the nuclei of sequences of isoelectronic negative ions. In doing so, we made use of the fact that gaseous atoms do not form more than singly charged negative ions ( except perhaps some for quite large nuclear charges). The results obtained support the validity of this approach, and its possible application in other situations involving isoelectronic negative systems.
引用
收藏
页码:2105 / 2108
页数:4
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