A second eigenvalue bound for the Dirichlet Schroedinger operator

Let $\lambda_i(\Omega,V)$ be the $i$th eigenvalue of the Schr\"odinger operator with Dirichlet boundary conditions on a bounded domain $\Omega \subset \R^n$ and with the positive potential $V$. Following the spirit of the Payne-P\'olya-Weinberger conjecture and under some convexity assumptions on the spherically rearranged potential $V_\star$, we prove that $\lambda_2(\Omega,V) \le \lambda_2(S_1,V_\star)$. Here $S_1$ denotes the ball, centered at the origin, that satisfies the condition $\lambda_1(\Omega,V) = \lambda_1(S_1,V_\star)$. Further we prove under the same convexity assumptions on a spherically symmetric potential $V$, that $\lambda_2(B_R, V) / \lambda_1(B_R, V)$ decreases when the radius $R$ of the ball $B_R$ increases. We conclude with several results about the first two eigenvalues of the Laplace operator with respect to a measure of Gaussian or inverted Gaussian density

Eigenvalue Ratios for Sturm-Liouville Operators

AbstractIn this paper we prove various optimal bounds for eigenvalue ratios for the Sturm-Liouville equation − [p(x) y′]′ + q(x)y = λw(x)y and certain specializations. Our results primarily concern the regular case with Dirichlet boundary conditions though various extensions and generalizations to other situations are possible. Our results here extend the result λm/λ1 ≤ m2 obtained in a previous paper for the one-dimensional Schrödinger equation, − y″ + q(x)y = λy, on a finite interval with Dirichlet boundary conditions and nonnegative potential (q ≥ 0). In particular, we obtain λm/λ1 ≤ Km2/k, where the constants k, K satisfy 0 < k ≤ p(x) w(x) ≤ K for all x. If q ≡ 0, lower bounds can also be obtained. Our methods involve a slight modification of the Prüfer variable techniques employed in the Schrödinger case. We also examine the consequences of our recent proof of the Payne-Pólya-Weinberger conjecture in the one-dimensional (Sturm-Liouville) setting. Finally, we compare our general bounds to the detailed analyses of Keller and of Mahar and Willner for the special case of the inhomogeneous stretched string

An Isoperimetric Inequality for Fundamental Tones of Free Plates

We establish an isoperimetric inequality for the fundamental tone (first nonzero eigenvalue) of the free plate of a given area, proving the ball is maximal. Given $\tau>0$, the free plate eigenvalues $\omega$ and eigenfunctions $u$ are determined by the equation $\Delta\Delta u-\tau\Delta u = \omega u$ together with certain natural boundary conditions. The boundary conditions are complicated but arise naturally from the plate Rayleigh quotient, which contains a Hessian squared term $|D^2u|^2$. We adapt Weinberger's method from the corresponding free membrane problem, taking the fundamental modes of the unit ball as trial functions. These solutions are a linear combination of Bessel and modified Bessel functions.Comment: PhD thesis. Papers are in preparatio

On the boundary of the attainable set of the Dirichlet spectrum

Denoting by $\mathcal{E}\subseteq \R^2$ the set of the pairs $(\lambda_1(\Omega),\lambda_2(\Omega))$ for all the open sets $\Omega\subseteq\R^N$ with unit measure, and by $\Theta\subseteq\R^N$ the union of two disjoint balls of half measure, we give an elementary proof of the fact that \partial\E has horizontal tangent at its lowest point $(\lambda_1(\Theta),\lambda_2(\Theta))$.Comment: 7 pages, 3 figure

Self Consistent Molecular Field Theory for Packing in Classical Liquids

Building on a quasi-chemical formulation of solution theory, this paper proposes a self consistent molecular field theory for packing problems in classical liquids, and tests the theoretical predictions for the excess chemical potential of the hard sphere fluid. Results are given for the self consistent molecular fields obtained, and for the probabilities of occupancy of a molecular observation volume. For this system, the excess chemical potential predicted is as accurate as the most accurate prior theories, particularly the scaled particle (Percus-Yevick compressibility) theory. It is argued that the present approach is particularly simple, and should provide a basis for a molecular-scale description of more complex solutions.Comment: 6 pages and 5 figure

Geometric Phase, Curvature, and Extrapotentials in Constrained Quantum Systems

We derive an effective Hamiltonian for a quantum system constrained to a submanifold (the constraint manifold) of configuration space (the ambient space) by an infinite restoring force. We pay special attention to how this Hamiltonian depends on quantities which are external to the constraint manifold, such as the external curvature of the constraint manifold, the (Riemannian) curvature of the ambient space, and the constraining potential. In particular, we find the remarkable fact that the twisting of the constraining potential appears as a gauge potential in the constrained Hamiltonian. This gauge potential is an example of geometric phase, closely related to that originally discussed by Berry. The constrained Hamiltonian also contains an effective potential depending on the external curvature of the constraint manifold, the curvature of the ambient space, and the twisting of the constraining potential. The general nature of our analysis allows applications to a wide variety of problems, such as rigid molecules, the evolution of molecular systems along reaction paths, and quantum strip waveguides.Comment: 27 pages with 1 figure, submitted to Phys. Rev.

Hydrophobic and ionic-interactions in bulk and confined water with implications for collapse and folding of proteins

Water and water-mediated interactions determine thermodynamic and kinetics of protein folding, protein aggregation and self-assembly in confined spaces. To obtain insights into the role of water in the context of folding problems, we describe computer simulations of a few related model systems. The dynamics of collapse of eicosane shows that upon expulsion of water the linear hydrocarbon chain adopts an ordered helical hairpin structure with 1.5 turns. The structure of dimer of eicosane molecules has two well ordered helical hairpins that are stacked perpendicular to each other. As a prelude to studying folding in confined spaces we used simulations to understand changes in hydrophobic and ionic interactions in nano droplets. Solvation of hydrophobic and charged species change drastically in nano water droplets. Hydrophobic species are localized at the boundary. The tendency of ions to be at the boundary where water density is low increases as the charge density decreases. Interaction between hydrophobic, polar, and charged residue are also profoundly altered in confined spaces. Using the results of computer simulations and accounting for loss of chain entropy upon confinement we argue and then demonstrate, using simulations in explicit water, that ordered states of generic amphiphilic peptide sequences should be stabilized in cylindrical nanopores

A Survey on the Krein-von Neumann Extension, the corresponding Abstract Buckling Problem, and Weyl-Type Spectral Asymptotics for Perturbed Krein Laplacians in Nonsmooth Domains

In the first (and abstract) part of this survey we prove the unitary equivalence of the inverse of the Krein--von Neumann extension (on the orthogonal complement of its kernel) of a densely defined, closed, strictly positive operator, $S\geq \varepsilon I_{\mathcal{H}}$ for some $\varepsilon >0$ in a Hilbert space $\mathcal{H}$ to an abstract buckling problem operator. This establishes the Krein extension as a natural object in elasticity theory (in analogy to the Friedrichs extension, which found natural applications in quantum mechanics, elasticity, etc.). In the second, and principal part of this survey, we study spectral properties for $H_{K,\Omega}$, the Krein--von Neumann extension of the perturbed Laplacian $-\Delta+V$ (in short, the perturbed Krein Laplacian) defined on $C^\infty_0(\Omega)$, where $V$ is measurable, bounded and nonnegative, in a bounded open set $\Omega\subset\mathbb{R}^n$ belonging to a class of nonsmooth domains which contains all convex domains, along with all domains of class $C^{1,r}$, $r>1/2$.Comment: 68 pages. arXiv admin note: extreme text overlap with arXiv:0907.144

Schrödinger operators with δ and δ′-potentials supported on hypersurfaces

Self-adjoint Schrödinger operators with δ and δ′-potentials supported on a smooth compact hypersurface are defined explicitly via boundary conditions. The spectral properties of these operators are investigated, regularity results on the functions in their domains are obtained, and analogues of the Birman–Schwinger principle and a variant of Krein’s formula are shown. Furthermore, Schatten–von Neumann type estimates for the differences of the powers of the resolvents of the Schrödinger operators with δ and δ′-potentials, and the Schrödinger operator without a singular interaction are proved. An immediate consequence of these estimates is the existence and completeness of the wave operators of the corresponding scattering systems, as well as the unitary equivalence of the absolutely continuous parts of the singularly perturbed and unperturbed Schrödinger operators. In the proofs of our main theorems we make use of abstract methods from extension theory of symmetric operators, some algebraic considerations and results on elliptic regularity