Ground state correlations of jellium metal clusters in local spin-density approximation

被引:1
|
作者
Catara, F
Serra, L
VanGiai, N
机构
[1] IST NAZL FIS NUCL,SEZIONE CATANIA,I-95129 CATANIA,ITALY
[2] UNIV ILLES BALEARS,DEPT FIS,E-07071 PALMA DE MALLORCA,SPAIN
[3] INST PHYS NUCL,DIV PHYS THEOR,F-91406 ORSAY,FRANCE
来源
ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS | 1997年 / 39卷 / 02期
关键词
D O I
10.1007/s004600050122
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
The role of S = 1 excitations on the ground state of jellium clusters is analyzed within the random-phase approximation (RPA). The importance of the correlation-energy contribution to the residual interaction in this channel, in order to obtain a consistent description of the cluster electronic states, is stressed. The modification of the single-particle occupation numbers in the RPA ground state is obtained. This modification is found too large when considering only Coulomb exchange contributions to the functional, which clearly points the inadequacy of RPA for this approximate functional and the necessity to include correlation-energy contributions.
引用
收藏
页码:153 / 157
页数:5
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