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Folded spectrum method : ウィキペディア英語版
Folded spectrum method
In mathematics, the folded spectrum method (FSM) is an iterative method for solving large eigenvalue problems.
Here you always find a vector with an eigenvalue close to a search-value \varepsilon. This means you can get a vector \Psi in the middle of the spectrum without solving the matrix.
\Psi_= \Psi_i-\alpha( H- \varepsilon \mathbf )^2 \Psi_i, with 0<\alpha^<1 and \mathbf the Identity matrix.
In contrast to the Conjugate gradient method, here the gradient calculates by twice multipling matrix H:\;G\sim H\rightarrow G\sim H^2.
== Literature ==

* J. K. L. MacDonald, Phys. Rev. 46, 828 - 828 (1934)
* W. Wang and A. Zunger, J. Phys. Chem. 98, 2158 (1994)
* W. Wang and A. Zunger, J. Chem. Phys. 100, 2394 (1994)
* (http://www.sst.nrel.gov/topics/nano/escan.html )


抄文引用元・出典: フリー百科事典『 ウィキペディア(Wikipedia)
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