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Asymptotic distribution of eigenvalues of Laplace operator Martin Plávala 23.8.2013 Martin Plávala Asymptotic distribution of eigenvalues of Laplace operator Topics We will talk about: the number of eigenvalues of Laplace operator smaller than some λ as a function of λ asymptotic behaviour of this function for λ → ∞ the use of all of this in statistical physics Martin Plávala Asymptotic distribution of eigenvalues of Laplace operator Motivation About 100 years ago, Hermann Weyl has proven his theorem about asymptotic behaviour of the number of eigenvalues of Laplace operator. Modern proof of his theorem can be found in Reed and Simon’s book. Martin Plávala Asymptotic distribution of eigenvalues of Laplace operator Motivation About 100 years ago, Hermann Weyl has proven his theorem about asymptotic behaviour of the number of eigenvalues of Laplace operator. Modern proof of his theorem can be found in Reed and Simon’s book. Still, this theorem is used in statistical physics without any proof, nor proper formulation. We just say that entropy is the same in all containers, depending only on their volume. Let’s discover how and why this works! Martin Plávala Asymptotic distribution of eigenvalues of Laplace operator Number of states Number of states of self-adjoint operator A smaller than some λ is number of eigenfunctions that have eigenvalues smaller than this λ. We denote it NA (Ω, λ), where Ω is the domain of the functions in the domain of the operator A. Martin Plávala Asymptotic distribution of eigenvalues of Laplace operator Number of states Number of states of self-adjoint operator A smaller than some λ is number of eigenfunctions that have eigenvalues smaller than this λ. We denote it NA (Ω, λ), where Ω is the domain of the functions in the domain of the operator A. Correct for operators with only point spectrum! Definition Let A be self-adjoint operator, defined on some dense subset of Hilbert space and bounded from below. Number of states of this operator is equal to: NA (Ω, λ) = dim ImP(−∞,λ) where P(−∞,λ) is projection-valued measure. We just have to count the number of point of spectra smaller than λ and if there is essential spectrum, than number of states is infinity. Martin Plávala Asymptotic distribution of eigenvalues of Laplace operator Density of states and statistical physics Density of states is just the value of derivation of the number of states in some point. We use it to obtain entropy of ideal gas. The important point is that entropy is function of: d ND (Ω, λ) ln dλ where ND (Ω, λ) stands for number of states of (minus) Laplace operator with Dirichlet boundary condition on the bounder of Ω. We mark this operator −4Ω D . In 3 dimensions it looks like this: −4Ω D =− ∂2 ∂2 ∂2 − − ∂x 2 ∂y 2 ∂z 2 Martin Plávala Asymptotic distribution of eigenvalues of Laplace operator Density of states and statistical physics Density of states is just the value of derivation of the number of states in some point. We use it to obtain entropy of ideal gas. The important point is that entropy is function of: d ND (Ω, λ) ln dλ where ND (Ω, λ) stands for number of states of (minus) Laplace operator with Dirichlet boundary condition on the bounder of Ω. We mark this operator −4Ω D . In 3 dimensions it looks like this: −4Ω D =− ∂2 ∂2 ∂2 − − ∂x 2 ∂y 2 ∂z 2 But that is Hamilton’s operator for a particle trapped inside a box. Shape and volume of the box is defined by Ω, since Ω is the box. Martin Plávala Asymptotic distribution of eigenvalues of Laplace operator Formulation of the problem in statistical mechanics Let’s consider scalar particle trapped inside a box. We want to find all possible states of this particle by solving Schroedringers equation. The potential in Hamilton’s operator looks like this: 0 (x, y , z) ∈ Ω V (x, y , z) = ∞ (x, y , z) ∈ /Ω Since we require the wave function to vanish outside Ω, this is the same as solving eigenvector-eigenvalue problem for operator −4Ω D . We will ignore some constants in Hamilton’s operator. The solution for Ω shaped like a cube is known. We want to find number of states (and density of states) to get entropy. Martin Plávala Asymptotic distribution of eigenvalues of Laplace operator Formulation of the problem in mathematics Theorem (Weyl) Let Ω be bounded, open and contented (Jordan measurable) subset of R3 . Let ND (Ω, λ) denote number of states of operator −4Ω D , who’s eigenvalues are smaller than λ and let V denote Jordan measure of Ω. Then it holds that: V ND (Ω, λ) = lim 3 λ→∞ 6π 2 λ2 If we prove this theorem, we can estimate the entropy of a particle of ideal gas. Martin Plávala Asymptotic distribution of eigenvalues of Laplace operator Important parts of the proof The proof is based on combining few ideas: Known estimates for the cube Inequality of operators Min-max principle Martin Plávala Asymptotic distribution of eigenvalues of Laplace operator Known estimates for the cube We denote by −4Ω N Laplace’s operator defined on subset of functions who’s normal derivative vanishes on the border of Ω. Let denote Ω shaped like a cube, that satisfy the requirements of Weyl’s theorem. It holds that: 3 2 V λ 2 3λ ≤ C 1 + V ND (, λ) − 6π 2 3 2 V λ 2 3λ ≤ C 1 + V NN (, λ) − 6π 2 where V is the volume of the cube and C is some constant. Martin Plávala Asymptotic distribution of eigenvalues of Laplace operator Operators and quadratic forms Let A be dense defined, semi-bounded and self-adjoint operator on some infinite dimensional Hilbert space H, with eigenvectors ψn and eigenvalues λn . If we pass to the spectral representation, image of some vector ϕ ∈ H is: Aϕ = A ∞ X an ψn = n=1 ∞ X an λn ψn n=1 which is true if and only if ϕ is in operator domain D(A). ϕ ∈ D(A) if and only if: ∞ X 2 (Aϕ, Aϕ) = |an λn | < ∞ n=1 Although some vector ϑ ∈ H is in the domain of quadratic quadratic form assigned to A if and only if: (ϕ, Aϕ) = ∞ X 2 |λn | |bn | < ∞ n=1 Martin Plávala Asymptotic distribution of eigenvalues of Laplace operator Ω Quadratic forms of operators −4Ω D and −4N Definition Let Ω be open region in Rn . Dirichlet Laplace operator on Ω, −4Ω D , is the only self-adjoint operator defined on L2 (Ω, d m x), who’s quadratic form is the closure of the form: Z q(f , g ) = (∇f )∗ · ∇gd m x with form domain C0∞ (Ω). Definition Let Ω be open region in Rn . Neumann Laplace operator on Ω, −4Ω N , is the only self-adjoint operator defined on L2 (Ω, d m x), who’s quadratic form is: Z q(f , g ) = (∇f )∗ ∇gd m x with form domain H 1 (Ω). Martin Plávala Asymptotic distribution of eigenvalues of Laplace operator Inequality of operators Definition Let operators A,B have form domains Q(A), Q(B) and let both be self-adjoint and positive. We say that: 0≤A≤B if and only if Q(A) ⊃ Q(B) ∀ψ ∈ Q(B) : (ψ, Aψ) ≤ (ψ, Bψ) Martin Plávala Asymptotic distribution of eigenvalues of Laplace operator Min-max principle Theorem Let A denote bounded from below and self-adjoint operator. Let ϕ1 . . . ϕn−1 be any n − 1 tuple of vectors. We define: µn = sup inf (χ, Aχ) ϕ1 ...ϕn−1 χ∈Q(A), kχk=1, χ∈[ϕ1 ...ϕn−1 ]⊥ The if we arrange the element of spectra of A from the smallest up, counting even their multiplicity, then for a fix n ∈ N one of the following holds: (a) µn is the nth eigenvalue of A. (b) there is at most n − 1 eigenvalues of A smaller than µn and it holds that: µn = µn+1 = µn+2 = . . . Martin Plávala Asymptotic distribution of eigenvalues of Laplace operator Demonstration of min-max principle Let’s demonstrate min-max principle on a well known quantum system: particle bound to a finite line. The formula for µn : µn = sup ϕ1 ...ϕn−1 inf χ∈Q(H), kχk=1, χ∈[ϕ1 ...ϕn−1 ]⊥ (χ, Hχ) According to the theorem µn is the nth eigenvalue of Hamilton’s operator. Let’s proceed from inside to outside. We have take all of the unit vectors χ, which are orthogonal on some vectors ϕ1 . . . ϕn−1 and find the infimum of set containing elements (χ, Hχ). If we for example set n = 3, ϕ1 . . . ϕn−1 to be ψ12 , ψ42 , then the minimum is the first energy level E1 and the χ for which the minimum happens is ψ1 . Martin Plávala Asymptotic distribution of eigenvalues of Laplace operator Demonstration of min-max principle Let’s demonstrate min-max principle on a well known quantum system: particle bound to a finite line. The formula for µn : µn = sup ϕ1 ...ϕn−1 inf χ∈Q(H), kχk=1, χ∈[ϕ1 ...ϕn−1 ]⊥ (χ, Hχ) Now we have to do this for all tuples of vectors ϕ1 . . . ϕn−1 and find the supremum of this set. For the case of n = 3 we took ψ12 , ψ42 . But if we change one of them for ψ1 then clearly mimicking the steps we did before the number we would get would be E2 , the second energy level. The ”correct” choice of vectors ϕ1 . . . ϕn−1 is to take ψ1 , ψ2 , which would give us E3 , the third eigenvalue of Hamilton’s operator. Martin Plávala Asymptotic distribution of eigenvalues of Laplace operator Merging min-max principle and inequality of operators Theorem If: 0≤A≤B as defined before, then: NA (Ω, λ) ≥ NB (Ω, λ) Martin Plávala Asymptotic distribution of eigenvalues of Laplace operator Merging min-max principle and inequality of operators Theorem If: 0≤A≤B as defined before, then: NA (Ω, λ) ≥ NB (Ω, λ) Proof. All we have to prove is that k th element of spectrum of operator A is smaller or equal the k th element of spectrum of operator B. Since one of the requirements of definition of the inequality of operators is that: ∀ψ ∈ Q(B) : (ψ, Aψ) ≤ (ψ, Bψ) and because adding supremum and infimum preserves the inequality above, we get the expressions of elements of spectrum of both operators as in min-max principle. Martin Plávala Asymptotic distribution of eigenvalues of Laplace operator Operator inequality theorem Theorem Let Ω1 and Ω2 be disjoint open subsets of open set Ω. Let int Ω1 ∪ Ω 2 = Ω and let Ω \ (Ω1 ∪ Ω2 ) have measure of 0. Then: Ω1 ∪Ω2 0 ≤ −4Ω D ≤ −4D 1 ∪Ω2 0 ≤ −4Ω ≤ −4Ω N N Martin Plávala Asymptotic distribution of eigenvalues of Laplace operator One more inequality theorem Theorem For any Ω it holds that: Ω 0 ≤ −4Ω N ≤ −4D Theorem Let Ω ⊂ Ω0 , then it holds that: Ω 0 0 ≤ −4Ω D ≤ −4D Martin Plávala Asymptotic distribution of eigenvalues of Laplace operator The proof Let Ω be a contented set. We will call inner cubes all cubes of the same size that fit inside Ω without crossing the bounder of Ω and we will denote them Ω− n . We will call outer cubes all cubes of the same size that cover all of Ω and denote them Ω+ n . We get inequalities in given order: Ω+ 0 ≤ −4Dn ≤ −4Ω D Ω+ Ω+ 0 ≤ −4Nn ≤ −4Dn A+ (n) C+ A+ (n) C+ Ω+ 0 ≤ ⊕α=1 − 4Nn,α ≤ −4Nn which sums up to: 0 ≤ ⊕α=1 − 4Nn,α ≤ −4Ω D That means: A+ (n) ND (Ω, λ) ≤ X + NN (Cn,α , λ) α=1 Martin Plávala Asymptotic distribution of eigenvalues of Laplace operator The proof Similarly we get: A− (n) C− n,α 0 ≤ −4Ω D ≤ ⊕α=1 − 4D which leads us to: A− (n) X − ND (Cn,α , λ) ≤ ND (Ω, λ) α=1 Now we have to put together both inequalities of numbers of states: A− (n) X A+ (n) − ND (Cn,α , λ) ≤ ND (Ω, λ) ≤ α=1 X + NN (Cn,α , λ) α=1 3 2 which after dividing by λ and passing to limits as λ → ∞ and n → ∞ we get: 3 3 V V ≤ lim inf ND (Ω, λ)λ− 2 ≤ lim sup ND (Ω, λ)λ− 2 ≤ 2 λ→∞ 6π 2 6π λ→∞ which proves Weyl’s theorem. Martin Plávala Asymptotic distribution of eigenvalues of Laplace operator The use in statistical physics We have proven that: ND (Ω, λ) = Martin Plávala 3 V 3 λ 2 + o(λ 2 ) 6π 2 Asymptotic distribution of eigenvalues of Laplace operator The use in statistical physics We have proven that: ND (Ω, λ) = 3 V 3 λ 2 + o(λ 2 ) 6π 2 Lets suppose that: ND (Ω, λ) = 1 V 3 λ 2 + C1 λ + C2 λ 2 2 6π as in the case of cube.This, when used in formula for entropy, gives us: V 1 4π 2 C1 − 1 4π 2 C2 −1 d 2 2 + ND (Ω, λ) = ln λ + ln 1 + λ λ ln dλ 4π 2 V V Martin Plávala Asymptotic distribution of eigenvalues of Laplace operator The use in statistical physics We have proven that: ND (Ω, λ) = 3 V 3 λ 2 + o(λ 2 ) 6π 2 Lets suppose that: ND (Ω, λ) = 1 V 3 λ 2 + C1 λ + C2 λ 2 2 6π as in the case of cube.This, when used in formula for entropy, gives us: V 1 4π 2 C1 − 1 4π 2 C2 −1 d 2 2 + ND (Ω, λ) = ln λ + ln 1 + λ λ ln dλ 4π 2 V V If we consider one electron in box shaped like a cube with the volume of 1m3 at temperature 300K , then: λ ≈ 1018 m−2 Martin Plávala Asymptotic distribution of eigenvalues of Laplace operator Numerical simulation Martin Plávala Asymptotic distribution of eigenvalues of Laplace operator Thank you for your attention. Martin Plávala Asymptotic distribution of eigenvalues of Laplace operator