ELECTRON-CORRELATION EFFECTS IN THE PHOTOELECTRON-SPECTRUM OF POLYACETYLENE

被引：16

作者：

LIEGENER, CM

机构：

[1] Department of Theoretical Chemistry, University Erlangen-Nürnberg, D-8520 Erlangen

来源：

PHYSICAL REVIEW B | 1993年 / 47卷 / 03期

关键词：

D O I：

10.1103/PhysRevB.47.1607

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Electron-correlation effects in the photoelectron spectrum of polyacetylene are analyzed. Hole mixing and breakdown of the one-particle picture are obtained and interpreted by means of ab initio Green's-function calculations based on canonical crystal orbitals. The results represent explicit theoretical evidence that electron correlation effects are essential for an understanding of the photoelectron spectrum of polyacetylene at binding energies larger than 17 eV with respect to the Fermi level.

引用

页码：1607 / 1609

页数：3

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