期刊
PHYSICAL REVIEW B
卷 78, 期 24, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.78.245118
关键词
density functional theory; eigenvalues and eigenfunctions; Green's function methods; matrix algebra
资金
- NSF [ECS-0622146]
A method is presented to evaluate self-energy matrices used in the Green's function formulation of transport calculations. By adding a complex absorbing potential to the Hamiltonian of a semi-infinite lead, the problem of inverting an infinite-dimensional matrix is transformed into a finite-dimensional eigenvalue problem. The self-energies are calculated for all energies at once and can be tabulated for a given system. Examples are presented to show the accuracy of the approach.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据