Ab Initio complex absorbing potentials

被引：0

作者：

Henderson, Thomas M. ^{[1
]}

Fagas, Giorgos ^{[1
]}

Hyde, Eoin ^{[1
]}

Greer, James C. ^{[1
]}

机构：

[1] Natl Univ Ireland Univ Coll Cork, Tyndall Natl Inst, Cork, Ireland

来源：

RECENT PROGRESS IN COMPUTATIONAL SCIENCES AND ENGINEERING, VOLS 7A AND 7B | 2006年 / 7A-B卷

关键词：

quantum transport; resonance; complex potential; self-energy;

D O I：

暂无

中图分类号：

O29 [应用数学];

学科分类号：

070104 ;

摘要：

Empirical complex potentials are often used to model interactions between bound states and continua. These interactions can also be modeled by the self-energy. We discuss the relation between complex potentials and the self-energy, using the latter to construct a non-local, ab initio complex potential, We apply our scheme to studying transmission in an atomic chain, obtaining excellent agreement with the exact result.

引用

页码：199 / 202

页数：4

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