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Chapter 7. The Eigenvalue Problem

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<strong>7.</strong> <strong>The</strong> <strong>Eigenvalue</strong> <strong>Problem</strong>, December 17, 2009 27<br />

Appendix <strong>7.</strong>2. Matrix diagonalization<br />

<strong>The</strong> following theorem is often used to simplify proofs and calculations.<br />

<strong>The</strong>orem. For any Hermitian matrix Ĥ there is a unitary matrix U such that<br />

U −1 ĤU is a diagonal matrix Λ (143)<br />

and the eigenvalues of H are the diagonal elements of Λ.<br />

Whenever we talk about equations involving matrices, their elements are<br />

calculated with the same basis set {|e(i)} N i=1. Since Ĥ is Hermitian, it has<br />

a set of eigenkets {|x(i)} N i=1 that satisfy the eigenvalue equation<br />

Ĥ|x(i) = λ i |x(i), i =1,...,N (144)<br />

Define the operator Û through |x(i) ≡Û|e(i) (145)<br />

Because {|e(i)} N i=1 and {|x(i)} N i=1 are both orthonormal, complete basis sets,<br />

Û is unitary (see Property 14 in <strong>Chapter</strong> 4). Replace |x(i) in the eigenvalue<br />

equation (Eq. 144) with Û|e(i) andthenapplyÛ −1 to both sides of the<br />

resulting equation. <strong>The</strong> result is<br />

Û −1 ĤÛ|e(i) = λ i|e(i), i =1,...,N (146)<br />

Act on this with e(j)| and use e(j) | e(i) = δ ji to obtain<br />

e(j) | Û −1 ĤÛ | e(i) = λ iδ ji ≡ Λ ji , i,j =1,...,N (147)<br />

<strong>The</strong> expression e(j) | Û −1 ĤÛ | e(i) is the matrix element of the operator<br />

Û −1 ĤÛ in the {|e(j)} representation. <strong>The</strong> matrix Λ (having elements Λ ji =<br />

λ i δ ji ) is diagonal:<br />

⎛<br />

⎞<br />

λ 1 0 0 ··· 0<br />

0 λ 2 0 ··· 0<br />

Λ =<br />

0 0 λ 3 ··· 0<br />

(148)<br />

⎜<br />

. ⎝ . . . .. .<br />

⎟<br />

⎠<br />

0 0 0 ··· λ N

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