NEW BOUNDS FOR THE ATOMIC CHARGE AND MOMENTUM DENSITIES AT THE ORIGIN

被引:22
作者
ANGULO, JC
DEHESA, JS
GALVEZ, FJ
机构
[1] Departamento de Física Moderna, Facultad de Ciencias, Universidad de Granada, Granada
来源
ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS | 1991年 / 18卷 / 02期
关键词
D O I
10.1007/BF01437436
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
The "Stieltjes moment problem" technique together with the positivity and monotonic decreasing properties of the electronic density of an atom is used to find new and more accurate lower bounds for the charge density at the nucleus and the momentum density at the origin, in terms of radial and momentum expectation values, respectively. Bounds depending on two and three expectation values are given explicitly and a Hartree-Fock study of their quality is carried out. Also, the behavior of the new bounds at large Z's is discussed. The Stieltjes technique allows to find lower bounds of better accuracy by including expectation values of higher order.
引用
收藏
页码:127 / 130
页数:4
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