Approximate local-density functional, partially complying with exchange-correlation hole requirements

被引：0

作者：

Salvetti, O. ^{[1
]}

Montagnani, R. ^{[1
]}

机构：

[1] Dipto. di Chimica e Chimica Indust., dell'Università di Pisa, Via Risorgimento 35, I 56126 Pisa, Italy

来源：

Physical Review A. Atomic, Molecular, and Optical Physics | 2001年 / 63卷 / 05期

关键词：

Atoms - Correlation theory - Coulomb blockade - Electron energy levels - Kinetic energy - Polynomial approximation - Probability density function;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

An approximate local-density functional complying with a basic requirement of the exchange-correlation hole was derived. The function represented as a simple polynomial was used for identifying the behavior of Coulomb hole at different density values. The energies of two-electron atoms calculated were shown to be insensitive to the precise values. The effects of the density gradient lead to further improvement in the calculated values.

引用

页码：521091 / 521096

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