von Neumann-Wigner theorem: level’s repulsion and degenerate eigenvalues. Yu.N.Demkov and P.Kurasov Abstract. Spectral properties of Schrödinger operators with point interactions are investigated. Attention is focused on the interplay between the level’s repulsion (von Neumann-Wigner theorem) and the symmetry of the points configuration. Explicit solvability of the problem allows to observe level’s repulsion for two centers. For larger number of centers the families of point interactions leading to the highest possible degeneracy is investigated. 1. Introduction The method of operator extensions in mathematics and its special case called in physics the method of zero range potentials (ZRP), is rapidly developing in the last decades due to its universality, applicability to many physical problems leading to essential simplifications (usually algebraization). See [5] where physical applications are considered and [2] where the same model is studied from the mathematical standpoint. Relative to other approximative methods this one contains from the very beginning continuous spectrum and preserves such properties of the exact problems as unitarity (in contrast to the Born approximation). In many problems appearing in physics short range objects are separated by large distances (galaxies, stars, planets, atoms and molecules, nuclei and elementary particles). Apart from very exotic cases only solid state doesn’t satisfy this property, but even there we can consider excitations as quasiparticles again returning to the same description. In zero range potential models we have a unique possibility to solve quantum problems exactly. The method is a particular case of the nonlocal projection operators method when the projection functions 1 2 YU.N.DEMKOV AND P.KURASOV are δ−functions and this allows one to preserve the locality of the operator. Although the theory is well developed the case where an infinite number or even a few zero range potentials are present is still not considered in full details. In the present article we are going to discuss properties of these models in relation to inverse problems and Wignervon Neumann theorem. The celebrated von Neumann-Wigner theorem [10] describes the probability that a finite dimensional matrix has a degenerate eigenvalue. This probability is lower than one may expect, namely the co-dimension of the set of matrices having double eigenvalue is always higher than 1. It follows that for a time-dependent Hamiltonian the probability that two energy curves cross each other is extremely low, and this phenomenon is called level’s repulsion. Usually two levels cross each other only if the corresponding eigenfunctions have different symmetries. Hence one expects to observe degenerate eigenvalues for Hamiltonians having certain symmetries only. In this paper we are going to study this phenomena using Hamiltonians with point interactions in R1 and R3 . These operators are widely used in quantum mechanics and atomic physics to model different physical processes (see [5, 2, 3] and numerous references there). Every Hamiltonian with N point interactions may have at most N eigenvalues. Straightforward analysis shows that no eigenvalue of multiplicity N can appear. The main goal of this paper is to study the possibility for operators with point interactions to have eigenvalues of the highest possible multiplicity N − 1. The paper is organized as follows. Schrödinger operators with point interactions are defined rigorously in Section 2 following mainly [2, 5]. Since two local point interactions cannot produce any degenerate eigenvalue (even of multiplicity 2), we study level’s repulsion for two centers in Section 3. For the cases of three, four and five centers the degeneracies of the eigenvalues are studied in Section 4. It is shown that the maximal degeneracy can be observed in the case where the configuration has a certain symmetry. 2. Hamiltonians with delta interactions Schrödinger operators with N local delta interactions at the points{y n }N n=1 are formally defined by (1) Lα = −∆ + N X n=1 αn δ(· − y n ), VON NEUMANN-WIGNER THEOREM:LEVEL’S REPULSION AND DEGENERATE EIGENVALUES. 3 where ∆ is the Laplace operator and δ(·−y n ) is the delta function with the support at the point y n . Without loss of generality we suppose that all points y n are different. In what follows we give precise definition for the operator Lα . Note that the operator corresponding to the formal expression (1) is uniquely defined in R1 , but to define this operator in R3 one has to take into account extra assumptions. Consider the Laplace operators (2) d2 ∂2 ∂2 ∂2 −∆1 = − 2 in L2 (R1 ); and −∆3 = − 2 − 2 − 2 in L2 (R3 ), dx ∂x1 ∂x2 ∂x3 which are self-adjoint when defined on the Sobolev spaces W22 (Rj ). Here x and ~x = (x1 , x2 , x3 ) denote the coordinates in R1 and R3 respectively. Then the operator corresponding to the formal expression (1) is one of the self-adjoint extensions of the symmetric restrictions −∆j0 of −∆j , j = 1, 3 to the set of functions vanishing at the interaction points (3) −∆j0 = −∆j |{ψ∈W22 (Rj ):ψ(yn )=0,n=1,2,...,N } . The deficiency elements for λ = −χ2 are just solutions to the equations −∆j0∗ g + χ2 g = δ(x − y n ) (4) n n e−χ|x−y | e−χ|x−y | 1 n 3 n g (x, y ) = and g (x, y ) = , n = 1, 2, ..., N. 2χ 4π|x − y n | Hence the deficiency indices of the restricted operators are equal to (N, N ). The domains of the adjoint operators are given by 1 Dom (−∆10∗ ) = W22 (R1 \ {y n }N n=1 ) ∩ C(R ); (5) Dom (−∆30∗ ) = W22 (R3 \ {y n }N n=1 ). To describe self-adjoint extensions of −∆j0 we are going to use the boundary values for the functions from the domain of the adjoint operator 1 ψ(x) ∼x→yn − |x − y n | ψ−n + ψ0n + o(1), for R1 ; 2 1 ψ−n + ψ0n + o(1), for R3 . 4π|x − y n | Then the boundary forms of the adjoint operators are given by (6) (7) ψ(x) ∼x→yn h(−∆j0∗ )u, vi − hu, (−∆j0∗ )vi = N X n=1 (u0n v̄−n − u−n v̄0n ) . 4 YU.N.DEMKOV AND P.KURASOV Definition 1. The operator Ljα is the restriction of the adjoint operator −∆j0∗ to the set of functions from ψ ∈ Dom (−∆j0∗ ) satisfying the boundary conditions ~0 = −α−1 ψ ~− , (8) ψ ~− = (ψ−1 , ψ−2 , ..., ψ−N )T and ψ ~0 = (ψ01 , ψ02 , ..., ψ0N )T are vecwhere ψ tors of boundary values of the function ψ. In other words the operator Ljα is the Laplace operator defined on the domain of functions satisfying (8). In dimension one it is possible to prove that the operator corresponding to the formal expression (1) is given by Definition 1. In dimension three it is necessary to use certain additional assumptions like the homogeneity properties of the Laplace operator and the delta distribution in order to show that the self-adjoint operator corresponding to (1) is given by Definition 1 (see [3], Section 1.5.1 for details). We do not want to dwell on this point, since our further studies are based on Definition 1 and are independent of these assumptions. In what follows only local delta interactions will be considered, i.e. interactions corresponding to the diagonal matrix α. For exhausting description of local point interactions see [8]. (It is possible to show that non-diagonal matrices α in (8) lead to nonlocal interactions.) Without loss of generality we suppose that all coefficients αn are different from zero. If it is not the case then the set of singular points y n , n = 1, 2, ..., N can simply be reduced. The resolvent of the perturbed operator Lα can be calculated using Kreins formula [6, 7, 9], since each of the operators Ljα is a finite dimensional perturbation of the Laplace operator −∆j in the resolvent sense. Hence the essential spectrum of Lα is purely absolutely continuous and coincides with the interval [0, ∞). (It has multiplicity 2 in R1 and infinite multiplicity in R3 .) The number of negative eigenvalues cannot exceed N (the rank of the perturbation). In addition straightforward analysis shows that no positive eigenvalues occur. The discrete spectrum of the operator is given by the zeroes of the perturbation determinant appearing in Kreins formula. Another way to obtain the equation for the discrete spectrum is to consider the following Ansatz for the eigenfunction (9) ψ= N X an g j (x, yn ), n=1 j where g (x, y) are the Green functions for the Laplace operator given by (4). The function ψ presented by (9) satisfies the eigenfunction VON NEUMANN-WIGNER THEOREM:LEVEL’S REPULSION AND DEGENERATE EIGENVALUES. 5 equation for λ = −χ2 (10) Lj0∗ ψ = −χ2 ψ for any value of the complex parameters an . It is an eigenfunction if and only if it in addition satisfies the boundary condition (8). Consider the boundary values of the Greens functions (11) 1/2χ, m=n ½ 1, m = n 1 1 n m g 1 = g 1 (x − y n ) ⇒ g−m = , g0m = 0, m 6= n e−χ|y −y | m 6= n 2χ −χ/4π, m=n ½ 1, m = n 3 3 n m = = g 1 = g 1 (x − y n ) ⇒ g−m , g0m e−χ|y −y | 0, m 6= n m 6= n 4π|y n − y m | The dispersion equations defining the discrete spectrum in R1 and R3 are ¡ ¢ (12) det 1 + G1 + 2χα−1 = 0; (13) ¡ ¢ det −χ + G3 + 4πα−1 = 0; respectively, where Gj are the following Hermitian N × N matrices ½ −χ|yn −ym | e , n 6= m 1 , Gnm = 0, n=m ( n m (14) e−χ|y −y | n 6= m 3 n −y m | , |y Gnm = . 0, n=m In what follows we are going to study solutions to these dispersion equations concentrating our attention to the degeneracy of the eigenvalues. In addition to exponentially decreasing at infinity eigenfunctions (corresponding to negative eigenvalues) there exist solutions decreasing power-like (corresponding to the eigenvalue zero). Decreasing of these functions at infinity is related to their angular dependance. Spherically symmetric functions are decreasing like c/r and therefore are not normalizable. All other values of the angular momentum are admissible (for E = 0). 6 YU.N.DEMKOV AND P.KURASOV 3. Level’s repulsion for two centers in R1 and R3 . Two local delta interactions cannot produce a degenerate eigenvalue. Therefore we are studying here the level repulsion. The operator with two delta potentials can be parameterized by three real parameters: d > 0 - the distance between the centers, αj , j = 1, 2 - the strengths of the delta interactions. Consider first the case of two point centers in dimension one. The dispersion equation is given by the following formula in this case (15) (1 + 2χα1−1 )(1 + 2χα2−1 ) − e−2χd = 0. It is convenient to use the following two parameters 1 γi = − αi , i = 1, 2. 2 Then the dispersion equation is (16) (17) (χ − γ1 )(χ − γ2 ) − e−2χd = 0. γ1 γ2 Let us denote the corresponding operator by L1 (γ1 , γ2 ). The dispersion equation for two centers in R3 is given by (18) (−χ + 4πα1−1 )(−χ + 4πα2−1 ) − e−2χd = 0. d2 Let us introduce two new parameters (19) γj = 4π/αj , j = 1, 2. We get the dispersion equation (20) (χ − γ1 )(χ − γ2 ) − e−2χd = 0. d2 The corresponding operator will be denoted by L3 (γ1 , γ2 ). The parameters γj just introduced for one- and three-dimensional problems can be interpreted as the energies of the bound states associated with each of the two point centers. Consider the Schrödinger operator with one delta interaction −∆ + αδ(x). Then the corresponding operator has exactly one bound state with the energy (21) E = −γ 2 = − α2 , provided α < 0 in dimension one 4 VON NEUMANN-WIGNER THEOREM:LEVEL’S REPULSION AND DEGENERATE EIGENVALUES. 7 and (4π)2 , provided α > 0 in dimension three. α2 The energies corresponding to single interactions can be obtained from the dispersion equations (17) and (20) considering the limit d → ∞. The exponential function tends to zero and the two dispersion equations transform into the following equation (22) E = −γ 2 = − (χ − γ1 )(χ − γ2 ) = 0, having two solutions χ = γ1,2 and defining the energies of the two bound states E1 = −γ12 and E2 = −γ22 provided that γ1,2 > 0. Another way to obtain these bound states is to consider the limit where the interaction at one of the centers vanishes. Note that vanishing interaction αj = 0 corresponds formally to γj = 0 for R1 and to γj = ∞ for R3 . The limits of the equations (17) and (20) when γ2 → 0, respectively γ2 → ∞ are given by χ − γ1 = 0. The last equation determines the unique bound state with the energy E1 = −γ12 (provided γ1 < 0). We find it more convenient to use parameters γj instead of αj to parameterize the operators with delta interactions. Let us study the number of eigenvalues depending on the values of the two parameters. Without loss of generality we can assume that γ1 ≥ γ2 . We introduce the following notation (χ − γ1 )(χ − γ2 ) P 1 (χ) = ; γ1 γ2 P 3 (χ) = (χ − γ1 )(χ − γ2 ). The eigenvalues of the operator L(γ1 , γ2 ) correspond to positive (real) solutions of the dispersion equation. Note that equation (17) has one ”parasite” solution χ = 0 which is not physical, since no eigenfunction corresponds to E = 0 in this case. The corresponding function does not belong to the Hilbert space. Let us study the three cases covering all possibilities (the cases when γ1 or γ2 are equal to zero can be excluded from the consideration), separately for one and three dimensional point interactions • γ2 ≤ γ1 < 0 For positive χ the functions P 1 (χ) and e−2χd satisfy the following inequalities P 1 (χ) ≥ 1 ≥ e−2χd . 8 YU.N.DEMKOV AND P.KURASOV The latter inequality is strong for χ 6= 0. Therefore equation (17) has no solution on the interval (0, ∞) in this case. The function P 3 is growing to infinity for positive χ and the function e−2χd /d is decreasing. Comparing the values of the functions at the origin one can deduce that eq. (20) has one solution iff 1 (23) γ1 γ2 < 2 . d • γ2 < 0 < γ 1 The functions P 1 (χ) and e−2χd are equal to 1 at χ = 0. Their second derivatives are negative and positive, respectively. Therefore equation (17) has at most one positive solution and this solution exists if and only if d −2χd d 1 (e )|χ=0 < P (χ)|χ=0 dχ dχ 1 1 ⇒ + < 2d. γ1 γ2 The solution belongs to the interval (0, γ1 ). Let us denote this solution by χ1 . Equation (20) always has one solution in this case, since the function P 3 is growing to infinity and has positive zero and the function e−2χd /d2 is positive and decreases to zero. The solution belongs to the interval (γ1 , ∞). • 0 < γ 2 ≤ γ1 The function P 1 is equal to zero at the points χ = γ1 and χ = γ2 . It increases to +∞ on the interval (γ1 , ∞). Therefore there exists a solution to the dispersion equation (17) on the interval (γ1 , ∞). This solution will be denoted by χ1 in what follows. The second solution is situated on the interval (0, γ2 ) if and only if the following condition is satisfied d −2χd d 1 (e )|χ=0 < P (χ)|χ=0 dχ dχ 1 1 ⇒ + < 2d. γ1 γ2 The second solution will be denoted by χ2 . Similarly equation (20) has two solutions χ1 and χ2 situated on the intervals (0, γ2 ) and (γ1 , ∞) if and only if the following condition is satisfied 1 (24) γ1 γ2 > 2 . d VON NEUMANN-WIGNER THEOREM:LEVEL’S REPULSION AND DEGENERATE EIGENVALUES. 9 Otherwise the equation has unique solution situated on the interval (γ1 , ∞). Thus we proved once more that the discrete spectra of the two problems consist of at most two distinct eigenvalues situated on the negative half-axis. Let us study the inverse spectral problem for these operator: Reconstruct the coupling constants γ1 and γ2 so that the operators L1 (γ1 , γ2 ) and L3 (γ2 , γ3 ) have given −χ21 = E1 < E2 = −χ22 < 0 as eigenvalues provided that the distance d between the interaction points is fixed. Without loss of generality we can suppose that d = 1. This problem can be solved in the following way. Consider first the dispersion equation corresponding to the one dimensional problem. Suppose that χ1 and χ2 are solutions of (17). Then the parameters γ1,2 satisfy the following system of equations (χ1 − γ1 )(χ1 − γ2 ) = γ1 γ2 e−2χ1 (25) , −2χ2 (χ2 − γ1 )(χ2 − γ2 ) = γ1 γ2 e which can be written as follows χ1 χ2 (χ1 −χ2 ) γ1 γ2 = χ1 (1−e−2χ2 )−χ2 (1−e−2χ1 ) ≡ A(χ1 , χ2 ) (26) . γ + γ = χ21 (1−e−2χ2 )−χ22 (1−e−2χ1 ) ≡ B(χ , χ ) 1 2 1 2 χ1 (1−e−2χ2 )−χ2 (1−e−2χ1 ) Each of the two equations is linear with respect to γi . Therefore this system of equations can be solved for example by resolving the first of the two equations with respect to γ1 and substituting it into the second equation. One obtains in this way the quadratic equation, which can always be solved: (27) γ 2 − Bγ + A = 0. But one cannot guarantee that the solutions, i.e. parameters γ1,2 are real. Only real parameters γj define a self-adjoint operator. Hence the energies of the bound states are not arbitrary, but satisfy the inequality (28) D(χ1 , χ2 ) ≡ B 2 (χ1 , χ2 ) − 4A(χ1 , χ2 ) ≥ 0. Similarly for the three dimensional problem we have the system of equations ½ (χ1 − γ1 )(χ1 − γ2 ) = e−2χ1 , (29) (χ2 − γ1 )(χ2 − γ2 ) = e−2χ2 ; 10 YU.N.DEMKOV AND P.KURASOV ( (30) ⇒ −2χ1 −2χ2 2e γ1 γ2 = χ1 χ2 + χ1 e χ1 −χ ≡ A(χ1 , χ2 ), −χ2 e−2χ1 −e−2χ2 γ1 + γ2 = χ1 + χ2 − χ1 −χ2 ≡ B(χ1 , χ2 ). Again there exists a self-adjoint operator if and only if the discriminant given by (28) is non-negative. Theorem 1. Let −χ21 < −χ22 be two eigenvalues of the operator L (γ1 , γ2 ), j = 1, 3. Assume that the energy E1 = −χ21 is fixed. Then all possible values of χ2 fills in the interval [0, χmax ] where χmax = χmax (χ1 ) 2 2 2 is the value of χ2 corresponding to the symmetric interaction γ1 = γ2 . This χmax is the unique solution to the following equations 2 j max (31) 1 − e−χ2 χmax 2 = 1 + e−χ1 max and χmax + e−χ2 = χ1 − e−χ1 , 2 χ1 for R1 and R3 respectively. Proof. We are going to prove the theorem for the one and three dimensional cases separately. Dimension one. The energies χ1 and χmax corresponding to the 2 symmetric case γ1 = γ2 ≡ γ can be calculated from the following equation (χ − γ)2 = γ 2 e−2χ ⇒ χ − γ = ±γe−χ max 1 − e−χ2 1 + e−χ1 = . χ1 χmax 2 To prove the theorem it is enough to show that the discriminant of the system (27) is positive for all χ2 < χmax and negative for χmax < χ2 . 2 2 Taking into account that the discriminant is equal to zero for χ2 = χmax ( γ1 = γ2 in this case) it is sufficient to show that the derivative 2 ∂ D(χ1 , χ2 ) is negative. Consider the function f (x) = (1 − e−2x )/x. ∂χ2 Direct calculations show that ⇒ 0 ≤ f (x) ≤ 2, −2 ≤ f 0 (x) ≤ 0, 0 ≤ f 00 (x), provided x > 0. It is easy to see that χ1 − χ2 A= . f (χ2 ) − f (χ1 ) Then the main value theorem implies 0 ≤ A(χ1 , χ2 ) ≤ 1/2. Using the fact that B = χ1 + A(χ1 , χ2 )f (χ1 ) the derivative of the discriminant can be evaluated ∂A(χ1 , χ2 ) ∂D(χ1 , χ2 ) = 2 ((χ1 + A(χ1 , χ2 )f (χ1 ))f (χ1 ) − 2) . ∂χ2 ∂χ2 VON NEUMANN-WIGNER THEOREM:LEVEL’S REPULSION AND DEGENERATE EIGENVALUES. 11 To prove that the derivative theorem again ∂A(χ1 ,χ2 ) ∂χ2 is positive we use the main value ∂A(χ1 , χ2 ) f (χ1 ) − (f (χ2 ) + (χ1 − χ2 )f 0 (χ2 )) = ∂χ2 (f (χ1 ) − f (χ2 ))2 and take into account that the second derivative of f is positive. The expression in the brackets is negative χ1 f (χ1 ) + A(χ1 , χ2 )f 2 (χ1 ) − 2 ≤ χ1 f (χ1 ) + f 2 (χ1 )/2 − 2 ≤ 0. The last inequality follows directly from the properties of the function f (x). It follows that D(χ1 , χ2 ) is positive for χ2 < χmax and negative 2 max for χ2 < χ2 . Dimension three We introduce new parameters ½ ½ ξ = 12 (γ1 + γ2 ) γ1 = ξ + η ⇒ (32) 1 γ2 = ξ − η η = 2 (γ1 − γ2 ) Dispersion equation (20) is then given by (χ − ξ)2 − η 2 − e−2χ = 0. (33) Since χ1 is a solution of the last equation we get (34) Q3 (ξ, χ) ≡ (χ − ξ)2 − (χ1 − ξ)2 − e−2χ + e−2χ1 = 0. Then the partial derivative ∂χ2 ∂η can be estimated ∂χ η(χ1 − χ2 ) |χ=χ2 = < 0, ∂η (χ1 − ξ)(χ2 − ξ + e−2χ2 ) since χ2 − ξ + e−χ = − p e−2χ2 + η 2 + e−2χ2 ≤ e−χ2 (e−χ2 − 1) < 0. It follows that χ2 attains its maximal value when η = 0 i.e. in the symmetric case γ1 = γ2 ≡ γ. This case corresponds to χ1 and χ2 = χmax 2 satisfying the equation max (χ − γ)2 = e−2χ ⇒ χ1 − χmax = e−χ1 + e−χ2 . 2 the following estimate holds Hence for all χ2 : 0 ≤ χ2 ≤ χmax 2 (35) χ1 − χ2 ≥ e−χ1 + e−χ2 . . The Let us show that the discriminant is positive for all χ2 ≤ χmax 2 discriminant of the quadratic equation (30) on γ1 and γ2 is ¡ ¢ (e−2χ1 − e−2χ2 )2 D(χ1 , χ2 ) = (χ1 − χ2 )2 − 2 e−2χ1 + e−2χ2 + . (χ1 − χ2 )2 12 YU.N.DEMKOV AND P.KURASOV 2 (e−2χ1 −e−2χ2 ) The sum of the first and the third terms (χ1 − χ2 )2 + (χ1 −χ2 )2 2 −2χ −2χ (e 1 −e 2 ) can be estimated by (e−χ1 + e−χ2 )2 + (e−χ1 +e−χ2 )2 taking into account that (χ1 − χ2 )2 ≥ e−2χ1 − e−2χ2 in accordance with (35). Then the discriminant can be estimated from below ¡ −2χ1 ¢ (e−2χ1 − e−2χ2 )2 −χ1 −χ2 2 −2χ2 D(χ1 , χ2 ) ≥ (e +e ) −2 e = 0. +e + (e−χ1 + e−χ2 )2 It follows that the system (30) has real solutions for any 0 ≤ χ2 ≤ χmax (χ1 ). ¤ 2 The theorem states that the system of two local point interactions never has a multiple eigenvalue. The distance between the eigenenergies is minimal in the symmetric case γ1 = γ2 . This can be illustrated by the following figure. 5 5 4 4 3 3 x2 x2 2 2 1 1 0 0 0 1 2 3 4 5 0 1 2 3 x1 x1 R1 R3 4 5 Figure 1. Level’s repulsion for two centers. The area lying between the two curved lines is forbidden, i.e. it is impossible to find two point interactions at the distance d = 1 determining two eigenvalues in this region. In the limit χ1,2 → ∞ the curves approach the line χ1 = χ2 . It follows that two deep eigenvalues can be situated rather close to each other. The curves crosses the corresponding axes at the same point which is the unique solution of the equation x = 1 + e−x . We have proven that the Schrödinger operator with two local point interactions cannot have a degenerate eigenvalue. Moreover the two eigenvalues cannot be situated arbitrarily close to each other. This is a certain generalization of von Neumann-Wigner theorem [10]. Note VON NEUMANN-WIGNER THEOREM:LEVEL’S REPULSION AND DEGENERATE EIGENVALUES. 13 that the last statement holds due to the special form of the boundary conditions described by diagonal matrices. Considering nonlocal point interactions one can obtain operators with two negative eigenvalues situated arbitrarily. 4. Degenerate eigenvalues for several centers The one-dimensional Schrödinger operator cannot have degenerate eigenvalues (except the case where the operator can be represented by an orthogonal sum of operators on two intervals). Therefore we restrict our consideration to the case of the three-dimensional Schrödinger operator with point interaction described in Section 2. Moreover we are going to study the maximal possible degeneracy for the sake of simplicity. Low-order degeneracies can be described by studying clusters consisting of a smaller number of centers. Let us consider the possibility for the maximal degeneracy N − 1 for the system of N point potentials. The equation determining the eigenvalues in this system reads as follows e−χd12 e−χd13 e−χd1N −χ + γ1 ... d12 d13 d1N e−χd21 e−χd23 e−χd2N −χ + γ2 ... d21 d23 d2N 31 e−χd32 e−χd3N (36) det e−χd = 0, −χ + γ3 ... d31 d32 d3N ... ... ... ... ... −χd −χd −χd N 2 N 3 N 1 e e e ... −χ + γN dN 1 dN 2 dN 3 where γj = 4παj−1 . This equation determines at most N negative eigenvalues. We are interested in the case where one of these eigenvalues has maximal possible multiplicity N − 1. This happens if and only if all rows in the matrix are parallel, i.e. the determinants of all 2 × 2 minors are zero. Let us reckon for which number of centers this is possible. For large enough N (N ≥ 3) configuration of the centers is determined by Ngeom = 3(N − 2) distances. In addition there are Next = N parameters determining the extensions. Hence the matrix contains Npar = Ngeom + Next + 1 = 4N − 5 parameters including in addition the spectral parameter χ. The total number of 2 × 2 minors is )2 , but the number of independent equations reduces to equal to ( n(n−1) 2 n(n−1) due to the symmetry and special form of the matrix. Hence in 2 general there are Ncon = n(n−1) constraints on the parameters, which 2 guarantee the maximal degeneracy of the eigenvalue. Since the number of constraints is growing quadratically, but the number of parameters - just linearly, it is impossible to find a configuration leading to the maximal degeneracy for sufficiently large N . In the table below we 14 YU.N.DEMKOV AND P.KURASOV calculated the maximal expected dimension D of the set of parameters which guarantee the maximal degeneracy. N Ngeom Next Npar Ncon D 1 0 1 2 1 1 2 1 2 4 1 3 3 3 3 7 3 4 4 6 4 11 6 5 5 9 5 15 10 5 6 12 6 19 15 4 7 15 7 23 21 2 8 18 8 27 28 ∅ We see that for low N our ”naiv” calculations give the correct result. Thus in the case of one point interaction there is a one-parameter family of extensions having an eigenvalue. For two point interactions the family of operators having an eigenvalue is described by three parameters: two extension parameters and one distance. For large N (N ≥ 8) this table indicates that no eigenvalue of maximal multiplicity is possible. In the current section we are going to study the case of intermediate values of N. Three centers. There are 9 minors. Since the matrix is symmetric, only 6 minors are independent. Due to the special structure of the matrix, the number of equations reduces to 3 d23 χ(d23 −d13 −d12 ) −χ + γ1 = e d12 d13 d13 χ(d13 −d12 −d23 ) (37) −χ + γ2 = e d12 d23 d12 χ(d12 −d13 −d23 ) −χ + γ3 = e d13 d23 Theorem 2. For any configuration {y 1 , y 2 , y 3 } of three points in R3 and any negative number E = −χ2 there exists a unique set of parameters α1 , α2 , α3 such that the Schrödinger operator with three delta interactions of strengthes α1 , α2 , α3 concentrated at y 1 , y 2 , y 3 respectively has a degenerate eigenvalue with the energy E = −χ2 . Proof. Consider the system of equations (37) for arbitrary set of positive parameters d12 , d13 , d23 , χ. These equations allow one to calculate directly 3 positive real numbers γj = 4π/αj and hence reconstruct the parameters determining the delta interactions at the points y j . ¤ The theorem shows that for any fixed configuration of points supporting delta interactions the set of parameters determining such interactions leading to double eigenvalues can be parameterized by one VON NEUMANN-WIGNER THEOREM:LEVEL’S REPULSION AND DEGENERATE EIGENVALUES. 15 real parameter - the energy of the degenerate eigenvalue. Then the set of parameters leading to a degenerate eigenvalue can be described by 4 parameters as it was predicted by the table. Four centers. There are 36 minors, but due to the symmetry of the matrix only 21 minors are independent. Special form of the matrix reduces the number of independent equations to 6. It is natural to divide these equations into two systems of four and two equations in each system respectively d23 χ(d23 −d13 −d12 ) −χ + γ1 = e d13 d12 d34 χ(d34 −d24 −d23 ) −χ + γ2 = e d24 d23 (38) d14 χ(d14 −d34 −d13 ) e −χ + γ = 3 d34 d13 d12 χ(d12 −d14 −d24 ) e −χ + γ4 = d14 d24 and (39) eχ(d12 +d34 ) d12 d34 = eχ(d13 +d24 ) d13 d24 = eχ(d14 +d23 ) d14 d23 . The second system in the general case describes a certain relation between the distances and the energy parameter. It follows that not all configurations of four centers lead to a triple eigenvalue. In general if this configuration is admissible then it determines uniquely the possible energy of the triple bound state (except special cases described by Theorem 3). Then the distances and the energy of the triple eigenvalue can be used to determine the strengthes of the point interactions from the first four equations (38). For the system of four centers let us introduce some perimetric coordinates - the sums of lengthes of opposite edges in the tetrahedron determined by y 1 , y 2 , y 3 , y 4 (40) D12 = d12 + d34 , D13 = d13 + d24 , D14 = d14 + d23 . These coordinates can be used to calculate the perimeters of all three possible four-angles in an easy way: the perimeters are equal to the sums of the corresponding two perimetric coordinates. Theorem 3. Consider the Schrödinger operator in L2 (R3 ) with four point interactions of strengthes α1 , α2 , α3 , α4 situated at the points y 1 , y 2 , y 3 , y 4 . This operator has a triple eigenvalue if and only if one of the following conditions hold: 16 YU.N.DEMKOV AND P.KURASOV a) If all three perimetric coordinates are different, then the distances between the centers should satisfy one of the following three equivalent conditions (41) ln d12 + ln d34 − ln d13 − ln d24 ln d12 + ln d34 − ln d14 − ln d23 = < 0, d12 + d34 − d13 − d24 d12 + d34 − d14 − d23 (42) ln d13 + ln d24 − ln d14 − ln d23 ln d12 + ln d34 − ln d13 − ln d24 = < 0, d12 + d34 − d13 − d24 d13 + d24 − d14 − d23 (43) ln d12 + ln d34 − ln d14 − ln d23 ln d13 + ln d24 − ln d14 − ln d23 = < 0. d12 + d34 − d14 − d23 d13 + d24 − d14 − d23 The energy of the triple eigenvalue is determined uniquely by the geometry of the centers µ (44) E=− ln d12 + ln d34 − ln d14 − ln d23 d12 + d34 − d14 − d23 ¶2 . The unique values of the constants αj are determined by (38) (taking into account (19)). b) If two of the perimetric coordinates coincide, say D12 − D13 = d12 + d34 − d13 − d24 = 0, then the lengthes in these pairs should be equal, i.e. ½ (45) d12 = d13 d34 = d24 ½ or d12 = d24 d34 = d13 Then the triple eigenvalue exists only if condition (41) holds, its value is uniquely determined by the geometry and is given by (44). The unique values of the constants αj are determined by (38) (using (19)). c) If all three parametric coordinates are equal then the triple eigenvalue exists if and only if the four centers are situated at the vertices of a tetrahedron with at least one side given by a regular triangle and the three other sides equal. The energy of the triple eigenvalue is arbitrary negative and the values of the parameters αj (all equal) are uniquely determined by this energy. Proof. Let us consider all three cases separately. a) If all three parametric coordinates are different then the parameter χ which determines the energy of the triple bound state can be VON NEUMANN-WIGNER THEOREM:LEVEL’S REPULSION AND DEGENERATE EIGENVALUES. 17 calculated from (39) using three different equalities as follows ln d12 + ln d34 − ln d13 − ln d24 χ = − , d12 + d34 − d13 − d24 ln d12 + ln d34 − ln d14 − ln d23 , χ = − d12 + d34 − d14 − d23 ln d13 + ln d24 − ln d14 − ln d23 χ = − . d13 + d24 − d14 − d23 Excluding χ from the last equations in three different ways we get (41,42,43) taking into account that χ must be positive. Then the parameters αj (or γj ) can be calculated from (38). b) If any two of three perimetric coordinates coinside, say D12 = D13 , then the system of equations (39) is equivalent to the following two equations ln d12 + ln d34 − ln d13 − ln d24 ln d12 + ln d34 − ln d14 − ln d23 − =− > 0; d12 + d34 − d13 − d24 d12 + d34 − d14 − d23 d12 d34 = d13 d24 . Taking into account that the two perimetric coordinates coincide we conclude that the later equation implies (45) and that the energy of the triple eigenvalue is given by (44). The extension parameters are again determined by (38). c) If all three perimetric coordinates coincide then (39) is equivalent to d12 d34 = d13 d24 = d14 d23 , and it follows that the four centers form a tetrahedron with at least one side given by a regular triangle. The three remaining sides are equal. In this case equation (39) is satisfied for arbitrary value of the energy parameter E = −χ2 . After choosing this parameter equal to arbitrary negative number one can calculate unique values of the strength parameters from (38). ¤ The first family of point interactions is described by 5 independent parameters as it was expected (see the table). The other two families are described by 4 and 3 parameters respectively. The last family is the most interesting, since it includes the regular tetrahedron - the most symmetric configuration of four centers. Five centers. We study the possibility that this system has an eigenvalue of multiplicity 4. It is not obvious that the system of equations is solvable. The table predicts that the family of solutions is described by 5 parameters. We are able to show that there exists a two-parameter family. Consider the most symmetric configuration of 5 points: 18 YU.N.DEMKOV AND P.KURASOV points y 2 , y 3 , y 4 , y 5 are situated at the corners of a regular tetrahedron, point y 1 is situated in the center of the tetrahedron. We denote by d the length of the tetrahedron’s edges and by r the radius of the described sphere containing the four vertices of the tetrahedron. Then the system (36) reads as follows e−χr e−χr e−χr e−χr −χ + γ1 r r r r e−χr e−χd e−χd e−χd −χ + γ2 r d d d −χd −χd −χd e−χr e e e (46) det −χ + γ = 0. 3 r d d d e−χr −χd −χd −χd e e e −χ + γ4 r d d d e−χr e−χd e−χd e−χd −χ + γ5 r d d d All rows of the matrix are linearly dependent (the eigenvalue has multiplicity 4) if and only if −χ + γ2 = −χ + γ3 = −χ + γ4 = −χ + γ5 = e−χd d ⇒ γ2 = γ3 = γ4 = γ5 = χ + e−χd /d and µ −χ + γ1 = e−χr r ¶2 / e−χd d ⇒ γ1 = χ + 2 eχ(d−2r) . d r Hence for any χ one can find parameters αj , j = 1, ..., 5 such that the Schrödinger operator with 5 point interactions has an eigenvalue of multiplicity 4. The last family appears to be the most interesting, since it conyains the regular tetrahedron - the most symmetric configuration of four centers. Six and more centers. Consider the system of six centers. The table predicts that the set of parameters leading to the maximal degeneracy in this case is described by 4 parameters. Let us examine the most symmetric configuration of six centers - the points situated at the summits of the octahedron. The matrix takes the following form √ 2d e−χd e−χ e−χd e−χd e−χd √ −χ + γ1 d d d d d 2d √ e−χd 2d e−χd e−χ e−χd e−χd √ −χ + γ d 2 d√ d d d 2d e−χ 2d −χd −χd −χd −χd e e e e √ −χ + γ3 d d d d 2d , √ 2d −χ −χd −χd −χd e−χd e√ e e e −χ + γ 4 d d d d√ 2d −χd −χd −χd −χd −χ 2d e e e e√ e −χ + γ 5 d d d d 2d e−χd d e−χd d e−χd d e−χd d √ 2d e−χ √ 2d −χ + γ6 VON NEUMANN-WIGNER THEOREM:LEVEL’S REPULSION AND DEGENERATE EIGENVALUES. 19 where d is the length of the octahedrons edge. The rows are parallel only if √ e−χd e−χ 2d ln 2 = √ ,⇒ χ = − √ < 0. d 2d 2d( 2 − 1) But the parameter χ has to be positive. It follows that this system cannot have an eigenvalue of multiplicity 5. The last equation determines a resonance instead of the eigenvalue. We conjecture that the system of 6 point interactions cannot have an eigenvalue of multiplicity 5. Similarly we do not expect eigenvalues of the multiplicity N − 1 for any system N point interaction, provided N > 6. We are going to return back to this problem in one of our forthcoming publications. Conclusions The authors are gratefull to The Swedish Royal Academy of Sciences and Foundation for Basic Research (Vetenskapsrådet) for financial support. References [1] M.N. Adamov, Yu.N. Demkov, V.D. Ob”edkov, and T.K. Rebane, Model of a small-radius potential for molecular systems, Teor. Eksp. Khimiya, 4 (1968), 147–153. [2] S. Albeverio, F. Gesztesy, R. Høegh-Krohn, and H. Holden, Solvable models in quantum mechanics. Second edition. With an appendix by Pavel Exner. AMS Chelsea Publishing, Providence, RI, 2005. [3] S. Albeverio and P. Kurasov, Singular perturbations of differential operators. Solvable Schrödinger type operators, London Mathematical Society Lecture Note Series, 271. Cambridge University Press, Cambridge, 2000. [4] Yu.N. Demkov, G.F. Drukarev, and V.V. Kuchinskii, Dissociation of negative ions in short range potential approximation, J. Exp. Theor. Phys., 58 (1970), 944–951. [5] Yu. Demkov and V. Ostrovsky, Zero-range potentials and their applications in atomic physics, Plenum, New York, 1988 (Translation from the 1975 Russian original: Demkov, .N., Ostrovski, V.N., Metod potencialov nulevogo radiusa v atomno fizike, Izd–vo Leningradskogo Universiteta, Leningrad, 1975 ) [6] M. Krein, On Hermitian operators whose deficiency indices are 1, Comptes Rendue (Doklady) Acad. Sci. URSS (N.S.), 43, 131-134, 1944. [7] M. Krein, On Hermitian operators whose deficiency indices are equal to one. II, Comptes Rendue (Doklady) Acad. Sci. URSS (N.S.), 44, 131-134, 1944. [8] P. Kurasov and A. Posilicano, Finite speed of propagation and local boundary conditions for wave equations with point interactions. Proc. Amer. Math. Soc. 133 (2005), 3071–3078. [9] M. Naimark, On spectral functions of a symmetric operator, Bull. Acad. Sciences URSS, 7, 285-296, 1943. [10] J. von Neumann and E. Wigner, Über das Verhalten von Eigenwerten bei adiabatischen Prozessen, Phys. Zeit., 30 (1929), 467-470. 20 YU.N.DEMKOV AND P.KURASOV Particulars about the authors Pavel Kurasov (corresponding author) Physics Research Institute, St.Petersburg University Russia, 198904 St.Petersburg, St. Peterhof Ul’yanovskaya 1, St.Petersburg University, Physics Research Institute, Laboratory of Quantum Networks and Dept. of Mathematics, Lund University, 221 00 Lund, Sweden e-mail: [email protected] Contact phone number: (812) 2340791 Yurii N. Demkov Physics Research Institute, St.Petersburg University Russia, 198904 St.Petersburg, St. Peterhof Ul’yanovskaya 1, St.Petersburg University, Physics Research Institute, Dept. of Quantum Mechanics Contact phone number: (812) 2320267 Title: von Neumann-Wigner theorem: level’s repulsion and degenerate eigenvalues. Authors: Yu.N.Demkov and P.Kurasov Abstract Spectral properties of Schrödinger operators with point interactions are investigated. Attention is focused on the interplay between the level’s repulsion (von Neumann-Wigner theorem) and the symmetry of the points configuration. Explicit solvability of the problem allows to observe level’s repulsion for two centers. For larger number of centers the families of point interactions leading to the highest possible degeneracy is investigated. UDC 517.984, 530.2. Keywords: Wigner-von Neumann theorem, zero-range potentials, extension theory, inverse spectral problem.
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