On the single-electron local kinetic energy

作     者：杨忠志 Yan A lexander Wang Shu-Bin Liu 

作者机构：Department of ChemistryLiaoning Normal UniveraityDalian 116029 China Department of ChemistryUniverity of North Caroina.Chapel Hill.NC 27599USA 

出 版 物：《Science China Chemistry》 (中国科学（化学英文版）)

年 卷 期：1998年第41卷第2期

页      面：174-181页

核心收录：

学科分类：07[理学] 070203[理学-原子与分子物理] 0702[理学-物理学] 

基　　金：National Natural Science Foundation of China  NSFC 

主　　题：YANG Zhongzhi Yan A lexander Wang Shu-Bin Liu 

摘      要：The single electron local kinetic energy is rigorously defined and explained based on Schrdinger equation for an electronic system. Its uniqueness and asymptotic behavior are demonstrated through two theorems, thereby clarifying the problem of arbitrary choice of the kinetic energy functional in density functional theory. The adequate models of the kinetic energy functional that satisfy the condition are suggested.