FORMULATION OF N-REPRESENTABLE AND UPSILON-REPRESENTABLE DENSITY-FUNCTIONAL THEORY .6. FRACTIONAL OCCUPATION NUMBERS

被引：0

作者：

KRYACHKO, ES

LUDENA, EV

机构：

[1] BOGOLUBOV THEORET PHYS INST, 252130 KIEV 130, UKRAINE

[2] IVIC, CTR QUIM, CARACAS 1020A, VENEZUELA

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1993年 / 106卷

关键词：

D O I：

暂无

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：

The notion of fractional occupation numbers for pure states is formulated within the context of the local-scaling transformation version of density functional theory. In particular, the effect of these transformations on the representation of the one-particle density is analyzed. An expression for the energy as an N-representable function of the fractional occupation number distribution is advanced.

引用

页码：1 / 9

页数：9

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