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The Influence of the Exchange-Correlation Functional on the Non-Interacting Kinetic Energy and Its Implications for Orbital-Free Density Functional Approximations

FINZEL Kati BULTINCK Patrick

物理化学学报2018，Vol.34Issue(6)：650-655,6.

物理化学学报2018，Vol.34Issue(6)：650-655,6.DOI:10.3866/PKU.WHXB201710251

The Influence of the Exchange-Correlation Functional on the Non-Interacting Kinetic Energy and Its Implications for Orbital-Free Density Functional Approximations

FINZEL Kati ¹BULTINCK Patrick¹

作者信息

1. Department of Inorganic and Physical Chemistry, Ghent University, 281 Krijgslaan, 9000 Ghent, Belgium
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摘要

关键词

Density functional approximation/Density functional approximation/Kinetic energy functional/Exchange-correlation functional/Bond dissociation energy/Bond distance

Key words

Density functional approximation/Density functional approximation/Kinetic energy functional/Exchange-correlation functional/Bond dissociation energy/Bond distance

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FINZEL Kati,BULTINCK Patrick..The Influence of the Exchange-Correlation Functional on the Non-Interacting Kinetic Energy and Its Implications for Orbital-Free Density Functional Approximations[J].物理化学学报,2018,34(6):650-655,6.

基金项目

The project was supported by the Fund for Scientific Research in Flanders (FWO-Vlaanderen) for Research Grant G021115N. （FWO-Vlaanderen）

物理化学学报

OA北大核心CSCDCSTPCDSCI

ISSN：1000-6818

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