Efficient O(N2) method to solve the Bethe-Salpeter equation -: art. no. 085307

被引：140

作者：

Schmidt, WG ^{[1
]}

Glutsch, S ^{[1
]}

Hahn, PH ^{[1
]}

Bechstedt, F ^{[1
]}

机构：

[1] Univ Jena, Inst Festkorpertheorie & Theoret Opt, D-07743 Jena, Germany

来源：

PHYSICAL REVIEW B | 2003年 / 67卷 / 08期

关键词：

D O I：

10.1103/PhysRevB.67.085307

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We present a numerically efficient approach to solve the Bethe-Salpeter equation for the polarization function. Rather than from the usual eigenvalue representation, the macroscopic polarizability is obtained from the solution of an initial-value problem. This reduces the computational effort considerably and allows for calculating excitonic and local-field effects in optical spectra of complex systems consisting of many atoms. As an example we investigate the optical anisotropy of the monohydride Si(001)(2x1) surface. While excitonic effects influence the surface optical properties considerably, the local-field effect induced changes are minimal.

引用

页数：7

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