DIPOLE EXCITATION OF NA CLUSTERS WITH A NONLOCAL ENERGY DENSITY-FUNCTIONAL

被引：80

作者：

PUENTE, A ^{[1
]}

SERRA, L ^{[1
]}

CASAS, M ^{[1
]}

机构：

[1] UNIV MILAN,DIPARTIMENTO FIS,I-20133 MILAN,ITALY

来源：

ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS | 1994年 / 31卷 / 04期

关键词：

D O I：

10.1007/BF01445008

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 elementary dipole excitations of the ionized clusters Na9+, Na21+ and Na41+ are investigated by solving the equations of the Random-Phase Approximation. The ground and excited states are described using the jellium model for the ionic background and a non-local energy density functional for the valence electrons. Non-local effects are specifically analyzed. The excitation energies thus obtained approach better than those of the Local Density Approximation both the full Hartree-Fock and the experimental results.

引用

页码：283 / 286

页数：4

共 18 条

[1] QUANTUM-CHEMISTRY OF SMALL CLUSTERS OF ELEMENTS OF GROUP-IA, GROUP-IB, AND GROUP-IIA - FUNDAMENTAL-CONCEPTS, PREDICTIONS, AND INTERPRETATION OF EXPERIMENTS [J].