Divergence analysis of atomic ionization processes and isoelectronic series

被引：21

作者：

Lopez-Rosa, S. ^{[1
,2
]}

Antolin, J. ^{[2
,3
]}

Angulo, J. C. ^{[1
,2
]}

Esquivel, R. O. ^{[1
,2
,4
]}

机构：

[1] Univ Granada, Dept Fis Atom Mol & Nucl, E-18071 Granada, Spain

[2] Univ Granada, Inst Carlos I Fis Teor & Computac, E-18071 Granada, Spain

[3] Univ Zaragoza, Dept Fis Aplicada, EUITIZ, Zaragoza 50018, Spain

[4] Univ Autonoma Metropolitana, Dept Quim, Mexico City 09340, DF, Mexico

来源：

PHYSICAL REVIEW A | 2009年 / 80卷 / 01期

关键词：

FOCK WAVE-FUNCTIONS; FISHER-INFORMATION; QUANTUM SIMILARITY; HARTREE-FOCK; ASYMPTOTIC-BEHAVIOR; PARTICLE SYSTEMS; ELECTRON-DENSITY; CHARGE-DENSITY; CROSS-ENTROPY; INEQUALITIES;

D O I：

10.1103/PhysRevA.80.012505

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

Fisher divergences (FDs) and Jensen-Shannon divergences (JSDs) are used in this work to quantify the informational discrepancies between the one-particle electron densities of neutral atoms, singly charged ions, and isoelectronic series. These dissimilarity magnitudes, computed for a set of 319 atomic systems in both position and momentum spaces, provide relevant information concerning pattern, structure, and periodicity properties of the ionization processes. In particular an apparent correlation between extremal values of the atomic ionization potential and the divergences is found. Results are compared with those obtained by quantum similarity techniques.

引用

页数：9

共 69 条

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