Information uncertainty-type inequalities in atomic systems

被引:65
作者
Guevara, NL [1 ]
Sagar, RP [1 ]
Esquivel, RO [1 ]
机构
[1] Univ Autonoma Metropolitana, Dept Quim, Mexico City 09340, DF, Mexico
关键词
D O I
10.1063/1.1605932
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 one-electron Shannon information entropy sum is reformulated in terms of a single entropic quantity dependent on a one-electron phase space quasiprobability density. This entropy is shown to form an upper bound for the entropy of the one-electron Wigner distribution. Two-electron entropies in position and momentum space, and their sum, are introduced, discussed, calculated, and compared to their one-electron counterparts for neutral atoms. The effect of electron correlation on the two-electron entropies is examined for the helium isoelectronic series. A lower bound for the two-electron entropy sum is developed for systems with an even number of electrons. Calculations illustrate that this bound may also be used for systems with an odd number of electrons. This two-electron entropy sum is then recast in terms of a two-electron phase space quasiprobability density. We show that the original Bialynicki-Birula and Mycielski information inequality for the N-electron wave function may also be formulated in terms of an N-electron phase space density. Upper bounds for the two-electron entropies in terms of the one-electron entropies are reported and verified with numerical calculations. (C) 2003 American Institute of Physics.
引用
收藏
页码:7030 / 7036
页数:7
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