_{1}

In this article, we compute the enclosures eigenvalues (upper and lower bounds) using the quadratic method. The Schrodinger operator (A) (harmonic and anharmonic oscillator model) has used as an example. We study a new technique to get more accurate bounds. We compare our results with Boulton and Strauss method.

Galerkin method is one of the best methods for determining upper bounds for the eigenvalues of semi-definite operators, unfortunately this method cannot find enclosures eigenvalue. This paper shows how to compute enclosures of the eigenvalues of self-adjoint operators by the Quadratic method. At first, we study the second-order relative spectrum (The Quadratic method) in [

Second-order relative spectra were first considered by Davies (1998) in the context of resonances for general self-adjoint operators in [

Our improvement depends on domain expansion around the first five eigenvalues in the spectrum, we will take a value for a less than λ_{1} and a value for b greater than λ_{5} and calculate the conjugate pairs of eigenvalues ( λ 1 , λ 2 , λ 3 , λ 4 , λ 5 ) (i.e.; around λ_{1} we will choose a 1 < λ 1 < λ 2 < λ 3 < λ 4 < λ 5 < b 1 ). In this paper we studied two models (harmonic and anharmonic oscillator) which are:

1): H h a r ( x ) = − u ″ ( x ) + x 2 u ( x ) .

2): H a n h ( x ) = − u ″ ( x ) + x 4 u ( x ) .

Notation

・ Below H denotes a generic separable Hilbert space with inner product 〈 . 〉 and norm ‖ . ‖ .

Let the operator ( A : D ( A ) → H ) be self-adjoint. We will write S p e c ( A ) to denote the spectrum of ( A ).

・ H is real inner product space means that H is real vector space on which there is an inner product 〈 x , y 〉 associating a real number to each pair of elements x, y. The norm is real function such that x = 〈 x , x 〉 1 / 2 , and the distance is: d ( x , y ) = x − y = 〈 x − y , x − y 〉 1 / 2 . And: d ( x , z ) ≤ d ( x , y ) + d ( y , z ) ; x , y ∈ H ,which is called triangular inequality.

・ For any pair of elements x, y of H satisfies the following properties:

〈 x , x 〉 ≥ 0

〈 y , x 〉 = 〈 x , y 〉

〈 y , x 1 + b x 2 〉 = 〈 x 1 y + b x 2 y 〉

〈 x , a y 1 + b y 2 〉 = a 〈 x , y 1 〉 + b 〈 x , y 2 〉

・ Given a subspaces L ⊂ D ( A ) of dimension n such that:

L = S p a n { b j } j = 1 n

we will write

A l = [ a l ( b j , b k ) ] k , j = 1 n ℂ n × n

・ The discrete spectrum: is the set of eigenvalues of finite multiplicity.

・ The essential spectrum of A : is the remaining part of s p e c ( A ) .

・ S p e c e s s ( A ) = s p e c ( A ) S p e c d i s c ( A ) .

・ Theorem: Let A be a self-adjoint operator:

- λ ∈ s p e c ( A ) ,there exists a sequence u j ∈ D o m ( A ) such that:

- ‖ λ u j , A u j ‖ → 0 as j → ∞ [This sequence is called Welys sequence].

- λ ∈ S p e c e s s ( A ) ↔ ( λ − A ) is not Fredholm.

・ The min-max theorem tells us if R is bounded above and below by the mini-mum and maximum eigenvalues respectively ( λ min , λ max ) ,and we have: λ min ( ifany ) ≤ R ( x ) ≤ λ max ( ifany ) ,where R ( x ) denoted by Rayleigh-Ritz quotient on a self-adjoint operator A as:

R A ( x ) = 〈 A x , x 〉 〈 x , x 〉 ; x ∈ D o m ( A ) .

We begin by describing the basic framework of the Quadratic method associated to a self-adjoint operator. First considered by Davis (1998) in the context of resonances for general self-adjoint operator in [

Let A be self-adjoint operator on Hilbert space H . Let L ⊂ D o m ( A ) ,a number z ∈ ℂ belongs to second order spectrum S p e c 2 ( A , L ) if there exists u , v ∈ L such that;

〈 ( A − z I ) u , ( A − z I ) v 〉 = 0 . (2.1)

For all u is nonzero. Means that the Second Order Spectrum usually contain complex numbers, but it turns out that if z ∈ S p e c 2 ( A , L ) then: S p e c ( A ) [ ( R e ( z ) − | I m ( z ) | ) , ( R e ( z ) + | I m ( z ) | ) ] ≠ φ .

Consider: E = { e 1 , e 2 , e n } .

Be a basis of L [ L is finite dimensional subspace of D o m ( A ) ], then the Quadratic matrix polynomial is:

Q ( z ) = A 2 − 2 z A 1 + z 2 A 0 . (2.2)

where the mass, stiffness and bending matrices are;

[ A 0 ] j k = ( e j , e k ) , [ A 1 ] j k = ( A e j , e k ) , [ A 2 ] j k = ( A e j , A e k )

We define the spectrum of Q(z) as the set of z ∈ ℂ such that

Q ( z ) = 0 for some u ∈ L / { 0 } . (2.3)

The standard way of finding Spec(Q) is to reach to the linear pencil eigenvalue problem:

A u = λ u for some u ∈ L / { 0 } . (2.4)

In this method we need to construct companion matrices which depend on the quadratic matrix polynomial to find the enclosure eigenvalues.

We have two possible companion matrices form which are given by

S = ( 0 I − A 2 2 A 1 ) , T = ( I 0 0 A 0 )

And

S = ( 0 I − A 2 0 ) , T = ( I 0 2 A 1 A 0 )

The eigenvalues of the matrix polynomial can be determined from one of this companion matrices form

LEMMA 2. 1: Let Q(z) is defined and be singular then:

det ( Q ( z ) ) = 0 ⇔ det ( S − z T ) = 0 . (2.5)

For S = ( 0 I − A 2 2 A 1 ) , T = ( I 0 0 A 0 )

det ( S − z T ) = | 0 − z I I − 0 − A 2 − 0 2 A 1 − z A 1 | = − z I ( 2 A 1 − z A 1 ) + A 2 I = det ( Q ( z ) )

Indeed, the assertion that Q(z) is singular is equivalent to the existence of u ≠ 0 such that

A 2 u − 2 z A 1 u + z 2 A 0 u = 0 . (2.6)

Denoting v = zu, this can be rewritten as

A 2 u − 2 A 1 v + z A 0 v = 0 . (2.7)

In turn, the latter is equivalent to:

( 0 I − A 2 2 A 1 ) ( u v ) = z ( I 0 0 A 0 ) ( u v ) (2.8)

As needed for the verification of (2.3).

LEMMA 2.2: Let L = S p a n { b j } j = 1 n ⊂ D o m ( A ) and ℙ is the orthogonal projection onto L ,then:

S p e c 2 ( A , L ) = { z ∈ ℂ : ∃ u ∈ L / { 0 } ; ( ( A − z I ) u , ( A − z ¯ I ) v ) = 0 , ∀ v ∈ L } . (2.9)

If L ⊂ D o m ( A 2 ) ,then:

S p e c 2 ( A ; L ) = { z ∈ ℂ : ∃ u ∈ L − { 0 } ; 〈 ℙ ( A − z ) 2 u , v 〉 = 0 , ∀ v ∈ L } = { z ∈ ℂ : 0 ∈ S p e c ( ℙ ( A − z ) 2 | L ) } . (2.10)

Typically S p e c 2 ( A , L ) contains non-real points. From the lemma it is easy to see that z ∈ S p e c 2 ( A , L ) if and only if z ¯ ∈ S p e c 2 ( A , L ) .

We now discuss a strategy suggested by Davis and Plum for computing the spectrum of self-adjoint operator.

Let A = A * and L ⊂ D o m ( A ) for z ∈ ℂ to S p e c ( A ) ,consider the function F : ℂ → [ 0 , ∞ ) be given:

F ( z ) = min v ∈ L ‖ ( z − A ) ‖ ‖ v ‖ (2.11)

Then F ( z ) is an upper bound for the distance from z to the spectrum of A ,that means:

D i s t [ z , S p e c ( A ) ] = min { ( z − λ ) : λ ∈ s p e c ( A ) } .

So F ( z ) ≥ d i s t [ z , S p e c ( A ) ] . (2.12)

Assume that z not in S p e c ( A ) ,since L ⊂ D o m ( A ) then:

F ( z ) = min 0 ≠ v ∈ H ‖ ( z − A ) v ‖ ‖ v ‖ ≥ sup 0 ≠ v ∈ H ‖ ( z − A ) − 1 u ‖ − 1 ‖ u ‖ = ‖ ( z − A ) − 1 ‖ − 1 = d i s t [ z , S p e c ( A ) ] so z ∈ ℂ (2.13)

Therefore F ( x ) can be small only when x ∈ ℝ is close to S p e c ( A ) ,so we can make a connection between S p e c ( A ) and F ( x ) .

Suppose [a, b] be an interval of the spectrum of A which lies in it, and

L ⊂ D o m ( A 2 ) = { u ∈ D o m ( A ) : L u ∈ D o m ( A ) } .

let [ a = z 0 , z 1 , z 2 , ⋯ , z n = b ] , ∀ z ∈ ℝ ,

F ( z ² ) = min 0 ≠ v ∈ L 〈 ( z − A ) 2 v , v 〉 ‖ v 2 ‖ = min 0 ≠ v ∈ L ‖ ( z − A ) 2 v ‖ ‖ v ‖ = min v ∈ ℂ n ‖ Q ( v ) ‖ ‖ v ‖ = G ( z ) , v is nonzero

Clearly, S p e c 2 ( A , L ) = { z ∈ ℂ : G ( z ) = 0 } . For z ∈ ℂ ,let Q(z) be as in (2.1),

v ≠ 0 :

G ( z ) = min v ∈ L ‖ Q ( v ) ‖ ‖ v ‖ (2.14)

Thus the zeros of G(z) appear in conjugate pair.

THEOREM 2.1: (Shargorodsky):

For λ ∈ S p e c 2 ( A , L ) ,and G ( λ ) = 0 ,let

λ u p p = R e ( λ ) + | I m ( λ ) | , λ l o w = R e ( λ ) − | I m ( λ ) |

Then:

[ λ l o w , λ u p p ] ∩ S p e c ( A ) ≠ φ . (2.15)

Let λ = a + ı b for α , β ∈ ℝ ,then:

( ( λ − A ) u , ( λ ¯ − A ) v ) = ( ( α − A ) u , ( α − A ) v ) + 2 ı β ( ( α − A ) u , v ) − β 2 ( u , v )

Then either β = 0, u ∈ L ,u = v we get:

‖ ( α − A ) u ‖ 2 − β 2 ‖ u ‖ 2 + 2 ı β ( ( α − A ) u , u ) = 0

So: β 2 = ‖ ( a − A ) u ‖ 2 ‖ u ‖ 2 and ( ( α − A ) u , u ) = 0 (2.16)

So: | β | = ‖ ( a − A ) u ‖ ‖ u ‖ ≥ F ( α ) ≥ d i s t [ α , S p e c ( A ) ] (2.17)

The method of second order relative spectra has been shown to reliably approximate the discrete spectrum for a self-adjoint operator in [

S p e c e s s ( A ) = s p e c ( A ) S p e c d i s c ( A ) (3.1)

In most standard situations the essential spectrum can be found analytically, but points in S p e c d i s c ( A ) are usually estimated by numerical procedures. The standard numerical techniques, such as the Quadratic method, aim at solving Galerkin approximate problems posed in weak form: find u ∈ L − { 0 } and λ ∈ ℝ such that 〈 A u , v 〉 = λ 〈 u , v 〉 ∀ v ∈ L ( L is finite dimensional). Boulton and Strauss method depends on sub-interval around the eigenvalues in S p e c ( A ) to find more accurate approximation enclosure eigenvalues than the Quadratic method around λ. Let:

λ min ( A ) = inf [ S p e c ( A ) ] and λ max ( A ) = sup [ S p e c ( A ) ] . (3.2)

∀ L ⊂ D o m ( A ) ; S p e c 2 ( A , L ) ⊂ D [ λ min ( A ) , λ max ( A ) ] .

lim n → ∞ [ S p e c 2 ( A , L n ) ] ⊆ D [ λ min ( A ) , λ max ( A ) ] for any sequence ( L n ).

By corresponding limit sets which has been stimulated by the following property: if ( a , b ) ∩ S p e c ( A ) = φ ,then:

S p e c 2 ( A , L ) ∩ D ( a , b ) = φ , ∀ L ⊂ D o m ( A ) . (3.3)

whenever z ∈ S p e c 2 ( A , L ) .

Thus inclusions of points in the spectrum of A are achieved from Re(z) with a two-sided explicit residual given by |Im(z)|. Indeed, if ( a , b ) ∩ S p e c ( A ) = λ and z ∈ S p e c 2 ( A , L ) with z ∈ D ( a , b ) ,then:

[ R e ( z ) − | I m ( z ) | 2 b − R e ( z ) , R e ( z ) + | I m ( z ) | 2 R e ( z ) − a ] ∩ S p e c ( A ) = { λ } (3.4)

we described a new technique to get more accurate bounds for the eigenvalues in S p e c ( A ) . Hobiny was discussed the Quadratic method to estimate enclosure eigenvalues for self-adjoint operator and illustrated the results on the harmonic and anharmonic oscillator models to know the accuracy and efficiency for this method in [

After that Boulton in [

Our improvement depends on domain expansion around the first five eigenvalues in S p e c ( A ) ,we will take a value for a less than λ_{1} and a value for b greater than λ_{5} and calculate the conjugate pairs of eigenvalues (λ_{1}, λ_{2}, λ_{3}, λ_{4}, λ_{5}) (i.e.; around λ_{1} we will choose a 1 < λ 1 < λ 2 < λ 3 < λ 4 < λ 5 < b 1 where:

( λ 1 ) l o w = R e ( z ) − | I m ( z ) | 2 b 1 − R e ( z ) (4.1)

( λ 1 ) u p p = R e ( z ) + | I m ( z ) | 2 R e ( z ) − a 1 (4.2)

And the same technique for other eigenvalues. Then we will apply a, b in our programs to find the first five enclosure eigenvalues and produce our comparison by numerical experiments on the harmonic and anharmonic oscillator models.

Consider the trial subspace L constructed via the finite element method on finite segment.

Let L > 0 and set A = H then, the general Schrodinger equation is:

H L u ( x ) = − u ″ ( x ) + V ( x ) u ( x ) ; x ∈ ( − L , L ) (5.1)

where V(x) is called the potential function, and it must be bounded below u ( L ) = u ( − L ) = 0 ; which is called the Dirichlet Boundary Conditions.

If we take u(x) as a common factor then:

[ − d 2 d x 2 + V ( x ) ] u ( x ) = λ u ( x ) (5.2)

Take:

H = − d 2 d x 2 + V ( x ) then H u ( x ) = λ u ( x ) (5.3)

so the operator H is a differential equation.

If V ( x ) = x 2 (5.4),

then the equation is related to harmonic oscillator model.

If V ( x ) = x 4 (5.5),

then the equation is related to anharmonic oscillator model.

We compare between the Quadratic method, Boulton & Strauss and our development on these models to calculate the enclosure eigenvalues to know which one is the best in this field.

The Harmonic Oscillator is one of the most important models of quantum theory.

Let H h a r = A ,for V ( x ) = x 2 ,then the exact eigenvalue is λ j + 1 = 2 j + 1 ; j ∈ ℕ .

By Schrodinger equation we have:

H h a r ( x ) = − u ″ ( x ) + x 2 u ( x ) (6.1)

And H h a r ( x ) = λ u ( x ) (6.2)

This equation can be solved explicitly and we can find the approximation eigenvalues using Matlab program by matrices M, N, R where,

M = [ ( Ψ ′ , Ψ ′ ) ]

N = [ x 2 Ψ , Ψ ]

R = [ ( Ψ , Ψ ) ]

And λ a p p = M + N R .

Now we compute S p e c 2 ( H 6 h a r , L 6 h a r ) as described before and calculate the eigenvalues enclosure. All the coefficients of the matrices were found analytically.

NOTE: In our improvement method we choose (n = 200, L = 6) to compare our results with Boulton and Strauss method, which approximate the first five eigenvalues of harmonic and anharmonic models with n = 200, L = 6.

Trial 1: In this trial we use the Quadratic method, Boulton & Strauss method, and our improvement with: n = 200, L = 6, to find the first five approximation

enclosure eigenvalues (upper and lower eigenvalues) of H 6 h a r ,where h = 2 L n (see

We calculate the Error between the exact and the lower bound for the first five approximation enclosure eigenvalues of H 6 h a r . error = e x a c t j − λ j . The slope of the graphs is close to the value (6) in all cases as n increases (

Λ | Quadratic method | Boulton and Straus method | Our improvement method | |
---|---|---|---|---|

λ_{1} | Upp low | 1.000343714729056 0.999656285291227 | 1.000000236289758 0.999999763730525 | 1.000000118025628 0.999999986897263 |

λ_{2} | Upp low | 3.001030615492415 2.998969384689878 | 3.000002124427357 2.999997875754936 | 3.000000212522912 2.999999882073825 |

λ_{3} | Upp low | 5.002199221800688 4.997800779032315 | 5.000009673565887 4.999990327267100 | 5.000000537815785 4.999999463031893 |

λ_{4} | Upp low | 7.003900035336483 6.996099967297225 | 7.000030421847483 6.999969580786066 | 7.000001171500465 6.999998311445117 |

λ_{5} | Upp low | 9.006150673512703 8.993849333094289 | 9.000075664791041 8.999924341814951 | 9.000001996954438 8.999996566707424 |

The anharmonic oscillator is another model of Schrodinger equation in one dimension. This model is one of the most important problems of quantum mechanics.

We choose this model to show that the technique for both methods can be applied to operator where the exact spectrum is not known.

Let H 6 a n h = A ,for V ( x ) = x 4 then; by Schrodinger equation we have

H a n h ( x ) = − u ″ ( x ) + x 4 u ( x ) (7.1)

And H a n h ( x ) = λ u ( x ) (7.2)

The exact eigenvalue is unknown.

This equation can be solved explicitly and we can find the approximation eigenvalues using Matlab program by matrices M, N, R where:

M = [ ( Ψ ′ , Ψ ′ ) ]

N = [ x 4 Ψ , Ψ ]

R = [ ( Ψ , Ψ ) ]

We compute S p e c 2 ( H 6 a n h , L 6 a n h ) ,as in

Trial 2: In this trial we use the Quadratic method, Boulton & Strauss method, and Our improvement technique with: n = 200, L = 6, to find the first five approximation enclosure eigenvalues (upper and lower eigenvalues) of H 6 a n h ,

where

h = 2 L n

(see

Λ | Quadratic method | Boulton and Straus method | Our improvement method | |
---|---|---|---|---|

λ_{1} | Upp low | 1.060362557981696 1.060361563013190 | 1.060362252449401 1.060362061273195 | 1.061066062252193 1.059658118801031 |

λ_{2} | Upp low | 3.799676880351021 3.799638443628093 | 3.799673918715551 3.799672602711578 | 3.797040801641494 3.797040801641494 |

λ_{3} | Upp low | 7.455732063205368 7.455606688132128 | 7.455701633603200 7.455694527185979 | 7.462745619537849 7.448650264962926 |

λ_{4} | Upp low | 11.644110613912629 11.644649763222517 | 11.644757012619969 11.644727274867936 | 11.659764086317372 11.629726975328792 |

λ_{5} | Upp low | 16.262159917276765 16.261391679238212 | 16.261854836128617 16.264709951625957 | 16.289304652770664 16.234347516123545 |

We compute S p e c 2 ( H 6 h a r , L 6 h a r ) and S p e c 2 ( H 6 a n h , L 6 a n h ) ,as we described before and calculate the eigenvalues enclosure. All the coefficient of the matrices A 0 , A 1 _{ }and A 2 were found analytically.

In

For the Harmonic oscillator model, the error between the approximation results and the first five exact eigenvalues (1, 3, 5, 7, 9) in our technique is less than the error between the exact and the approximation eigenvalues by the Boulton and Strauss method, and the same thing between of the Quadratic method results and the exact eigenvalues, so the approximation enclosure eigenvalues by our technique is more accurate and effective than the Boulton & Strauss method and the Quadratic method, also

For the anharmonic oscillator model, the exact eigenvalues are unknown but by results and

The author declares no conflicts of interest regarding the publication of this paper.

Abusamra, S.M. (2019) Computing the Enclosures Eigenvalues Using the Quadratic Method. Applied Mathematics, 10, 212-225. https://doi.org/10.4236/am.2019.104016