Minimum-cross-entropy estimation of atomic charge densities from scattering factors

被引：11

作者：

Antolín, J

Cuchí, JC

Angulo, JC

机构：

[1] Univ Granada, Inst Carlos 1 Fis Teor & Computac, E-18071 Granada, Spain

[2] Univ Lleida, ETSEA, Dept Engn Agroforestal, Lleida 25006, Spain

[3] Univ Granada, Fac Ciencias, Dept Fis Moderna, E-18071 Granada, Spain

[4] Univ Zaragoza, EUITIZ, Dept Fis Aplicada, E-50009 Zaragoza, Spain

来源：

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS | 1999年 / 32卷 / 03期

关键词：

D O I：

10.1088/0953-4075/32/3/003

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

Tight model-independent approximations to the one-particle atomic density rho(r), derived from very few values of the form factor F(k), are obtained by means of the minimum-cross-entropy technique. For completeness, the accuracy of the approximations is analysed within a Hartree-Fock framework.

引用

页码：577 / 586

页数：10

共 29 条

[1]

[Anonymous], 1992, Entropy Optimization Principle with Applications

[2]

[Anonymous], 1991, Maximum entropy in action: a collection of expository essays

[3] MAXIMUM-ENTROPY ANALYSIS OF THE ELECTRON-PAIR DENSITY IN MANY-ELECTRON SYSTEMS [J].