Suppr超能文献

多散射理论用于非局域和多通道势。

Multiple scattering theory for non-local and multichannel potentials.

机构信息

ICB, UMR 6303 Université de Bourgogne-CNRS, BP 47870, F-21078 Dijon, France.

出版信息

J Phys Condens Matter. 2012 Sep 12;24(36):365501. doi: 10.1088/0953-8984/24/36/365501. Epub 2012 Aug 15.

Abstract

Methodological advances in multiple scattering theory (MST) in both wave and Green's function versions are reported for the calculation of electronic ground and excited state properties of condensed matter systems with an emphasis on core-level photoemission and absorption spectra. Full-potential MST is reviewed and extended to non-local potentials. Multichannel MST is reformulated in terms of the multichannel density matrix whereby strong electron correlation of atomic multiplet type can be accounted for in both ground and excited states.

摘要

本文报道了波和格林函数版本的多重散射理论(MST)在方法上的进展,这些进展用于计算凝聚态系统的电子基态和激发态性质,重点是核心层光电子发射和吸收谱。本文回顾并扩展了全势能 MST 以适应非局域势。多通道 MST 被重新表述为多通道密度矩阵,从而可以在基态和激发态中考虑原子多重态类型的强电子相关。

文献检索

告别复杂PubMed语法,用中文像聊天一样搜索,搜遍4000万医学文献。AI智能推荐,让科研检索更轻松。

立即免费搜索

文件翻译

保留排版,准确专业,支持PDF/Word/PPT等文件格式,支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述,25分钟生成高质量综述,智能提取关键信息,辅助科研写作。

立即免费体验