COMPARATIVE-STUDY OF EXCHANGE-CORRELATION EFFECTS ON THE ELECTRONIC AND OPTICAL-PROPERTIES OF ALKALI-METAL CLUSTERS

被引：84

作者：

MADJET, M ^{[1
]}

GUET, C ^{[1
]}

JOHNSON, WR ^{[1
]}

机构：

[1] UNIV NOTRE DAME, DEPT PHYS, NOTRE DAME, IN 46556 USA

来源：

PHYSICAL REVIEW A | 1995年 / 51卷 / 02期

关键词：

D O I：

10.1103/PhysRevA.51.1327

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

Ground-state properties of alkali-metal clusters are investigated within the framework of the jellium model from the standpoint of either the local-density approximation of the density-functional theory or the nonlocal Hartree-Fock theory. Accordingly, the optical response is calculated microscopically within the corresponding time-dependent theory. The present study deals with closed-shell systems with up to 200 delocalized electrons. A comparative investigation of various approximations is carried out. In spite of significantly different mean-field potentials, a consistent inclusion of polarization-type many-body effects leads to surprisingly similar theoretical predictions of the first moments of the oscillator strength distribution. This agreement is discussed in terms of sum-rule constraints. The remaining discrepancies with regard to the measured data originate from the jellium assumption which underlies our calculations. © 1995 The American Physical Society.

引用

页码：1327 / 1339

页数：13

共 39 条

[1]

Amusia M. Ya., 1975, Case Studies in Atomic Physics, V5, P47

[2] SELF-CONSISTENT CALCULATION OF THE EIGENFREQUENCIES FOR THE ELECTRONIC EXCITATIONS IN SMALL JELLIUM SPHERES [J].