Time-dependent local-density approximation in real time

被引：784

作者：

Yabana, K

Bertsch, GF

机构：

[1] UNIV WASHINGTON,DEPT PHYS,SEATTLE,WA 98195

[2] UNIV WASHINGTON,INST NUCL THEORY,SEATTLE,WA 98195

来源：

PHYSICAL REVIEW B | 1996年 / 54卷 / 07期

关键词：

D O I：

10.1103/PhysRevB.54.4484

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We study the dipole response of atomic dusters by solving the equations of the time-dependent local-density approximation in real time. The method appears to be more efficient than matrix or Green's function methods for large clusters modeled with realistic ionic pseudopotentials. As applications of the method, we exhibit results for sodium and lithium clusters and for C-60 molecules. The calculated Mie resonance in Na-147 is practically identical to that obtained in the jellium approximation, leaving the origin of the redshift unresolved. The pseudopotential effects are strong in lithium and act to broaden the Mie resonance and give it a substantial redshift, confirming earlier studies. There is also a large broadening due to Landau damping in the calculated C-60 response, again confirming earlier studies.

引用

页码：4484 / 4487

页数：4

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