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100 CHAPTER 6. ITERATIVE EIGENVALUE SOLVERS<br />

AU − θU <strong>to</strong> solve Equation (6.49), can be used.<br />

When minimizing the norm ∣ ∣ ( AU − θU ) c ∣ ∣ 2 , the deviation of u = Uc from the<br />

2<br />

Stetter structure can be taken in<strong>to</strong> account <strong>to</strong>o, as follows:<br />

∣ ∣ ∣ ( AU − θU ) c ∣ ∣ ∣ ∣ 2 2 + α ∣ ∣ ∣ ∣ ( Uc− û ) ∣ ∣ ∣ ∣ 2 2 . (6.50)<br />

Note that the only unknown in this equation is c. Equation (6.50) can be written as:<br />

∣ ∣ ∣ Bc − v<br />

∣ ∣<br />

∣ ∣<br />

2<br />

2<br />

where<br />

⎛<br />

B =<br />

⎜<br />

⎝<br />

AU − θU<br />

αU<br />

⎞<br />

⎟<br />

⎠<br />

⎛<br />

and v =<br />

⎜<br />

⎝<br />

0<br />

α û<br />

⎞<br />

.<br />

⎟<br />

⎠<br />

(6.51)<br />

The remaining problem that has <strong>to</strong> be solved in this Refined Rayleigh-Ritz extraction<br />

method for projection, where the deviation from the Stetter structure is taken in<strong>to</strong><br />

account, is:<br />

ĉ = argmin<br />

c∈C k ,||c||=1<br />

∣ ∣ ∣∣ Bc − v 2<br />

2<br />

(6.52)<br />

involving the tall rectangular matrix B and the vec<strong>to</strong>r v.<br />

The problem of computing the minimum of ∣ ∣ Bc ∣ ∣ 2 2 where c ∈ Ck and ||c|| =1<br />

can be solved by using the Courant-Fischer Theorem as mentioned in [72]. Here the<br />

additional vec<strong>to</strong>r −v makes the situation more difficult and as a result this theorem<br />

can not be applied directly here. A solution would be <strong>to</strong> extend this theorem or <strong>to</strong><br />

use the method of Lagrange Multipliers [46] as shown below.<br />

If no projection is used the matrix B = AU − θU in Equation (6.52) is square<br />

since α = 0 and also v = 0. Then a singular value decomposition of the matrix<br />

(AU − θU) yields solutions for ĉ as in the original implementation of the Jacobi–<br />

Davidson method.<br />

When the involved matrix B is not square, the problem (6.52) is solved using the<br />

method of Lagrange Multipliers. To apply such a technique the system of equations<br />

Bc − v has <strong>to</strong> be transformed first in<strong>to</strong> a more convenient form. Applying a singular<br />

value decomposition <strong>to</strong> the (possibly) complex valued matrix B yields B = WDV ∗<br />

with unitary matrices W and V . The matrix D is a rectangular matrix containing<br />

the singular values d 1 ,...,d k of the matrix B on its main diagonal. The problem

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