DENSITY-FUNCTIONAL THEORY THROUGH LEGENDRE TRANSFORMATION

被引:58
作者
FUKUDA, R [1 ]
KOTANI, T [1 ]
SUZUKI, Y [1 ]
YOKOJIMA, S [1 ]
机构
[1] OSAKA UNIV, FAC ENGN SCI, DEPT MAT PHYS, TOYONAKA, OSAKA 560, JAPAN
来源
PROGRESS OF THEORETICAL PHYSICS | 1994年 / 92卷 / 04期
关键词
D O I
10.1143/PTP.92.833
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Theoretical foundation of density functional theory in terms of field theoretical Legendre transformation is presented. The ground state energy is first written as a functional of local probe coupled to the density operator. The density functional is then defined by the functional Legendre transformation, which leads to a systematic formulation of density functional theory. Excitation spectrum is also determined within the same formalism in a unified way. The diagrammatic evaluation is most conveniently done by using auxiliary field method. Several generalizations of the formalism and extension to the case other than the density operator are also discussed.
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页码:833 / 862
页数:30
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