CALCULATION OF IONIZATION-POTENTIALS FROM DENSITY MATRICES AND NATURAL FUNCTIONS, AND LONG-RANGE BEHAVIOR OF NATURAL ORBITALS AND ELECTRON-DENSITY

被引：342
|
作者：
MORRELL, MM [1 ]
PARR, RG [1 ]
LEVY, M [1 ]
机构：
[1] JOHNS HOPKINS UNIV,DEPT CHEM,BALTIMORE,MD 21218
来源：
JOURNAL OF CHEMICAL PHYSICS | 1975年 / 62卷 / 02期
关键词：
D O I：
10.1063/1.430509
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
引用
收藏
页码：549 / 554
页数：6
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