Cluster Recursion Method for Solving the LCAO Equations in Condensed Matter

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概要

• 論文の詳細を見る

• A new method is developed for calculating the electronic structures of condensedmatter in a real-space formulation based on the LCAO approximation. Using theHouseholder method, a matrix of a secular equation is partially transformed into aband matrix. In the early steps of this transformation, recurrent terms appear in theband matrix. These terms are changed into complex quantities. The site Green's func-lions are then calculated from the resulting smaller matrix. By changing the renor-malization order of the sites in a central cluster, the site Green's functions are easilyobtained. The electronic structures can be calculated from these site Green functions.A graphic calculation method is introduced to perform the renormalisation processesand an example is shown using a square lattice.[electronic structure calculation, new method, LCAO approximation, con- ll densed matter, theoryl

• 社団法人日本物理学会の論文
• 1991-01-15

著者

• Obata Shuji

  Tokyo Denki University

関連論文

• Cluster Recursion Method for Solving the LCAO Equations in Condensed Matter

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