Homogeneous structures and rigidity of isoparametric submanifolds in Hilbert space

We study isoparametric submanifolds of rank at least two in a separable Hilbert space, which are known to be homogeneous by the main result in [E. Heintze and X. Liu, Ann. of Math. (2), 149 (1999), 149-181], and with such a submanifold M and a point x in M we associate a canonical homogeneous structure I" (x) (a certain bilinear map defined on a subspace of T (x) M x T (x) M). We prove that I" (x) , together with the second fundamental form alpha (x) , encodes all the information about M, and we deduce from this the rigidity result that M is completely determined by alpha (x) and (Delta alpha) (x) , thereby making such submanifolds accessible to classification. As an essential step, we show that the one-parameter groups of isometries constructed in [E. Heintze and X. Liu, Ann. of Math. (2), 149 (1999), 149-181] to prove their homogeneity induce smooth and hence everywhere defined Killing fields, implying the continuity of I" (this result also seems to close a gap in [U. Christ, J. Differential Geom., 62 (2002), 1-15]). Here an important tool is the introduction of affine root systems of isoparametric submanifolds.

Weighted Fourier–Laplace transforms in reproducing kernel Hilbert spaces on the sphere

We study the action of a weighted Fourier–Laplace transform on the functions in the reproducing kernel Hilbert space (RKHS) associated with a positive definite kernel on the sphere. After defining a notion of smoothness implied by the transform, we show that smoothness of the kernel implies the same smoothness for the generating elements (spherical harmonics) in the Mercer expansion of the kernel. We prove a reproducing property for the weighted Fourier–Laplace transform of the functions in the RKHS and embed the RKHS into spaces of smooth functions. Some relevant properties of the embedding are considered, including compactness and boundedness. The approach taken in the paper includes two important notions of differentiability characterized by weighted Fourier–Laplace transforms: fractional derivatives and Laplace–Beltrami derivatives.

Accurate ab initio potential energy surfaces for the (3)A '' and (3)A ' electronic states of the O(P-3) plus HBr system

In this work, we report the construction of potential energy surfaces for the (3)A '' and (3)A' states of the system O(P-3) + HBr. These surfaces are based on extensive ab initio calculations employing the MRCI+Q/CBS+SO level of theory. The complete basis set energies were estimated from extrapolation of MRCI+Q/aug-cc-VnZ(-PP) (n = Q, 5) results and corrections due to spin-orbit effects obtained at the CASSCF/aug-cc-pVTZ(-PP) level of theory. These energies, calculated over a region of the configuration space relevant to the study of the reaction O(P-3) + HBr -> OH + Br, were used to generate functions based on the many-body expansion. The three-body potentials were interpolated using the reproducing kernel Hilbert space method. The resulting surface for the (3)A '' electronic state contains van der Waals minima on the entrance and exit channels and a transition state 6.55 kcal/mol higher than the reactants. This barrier height was then scaled to reproduce the value of 5.01 kcal/mol, which was estimated from coupled cluster benchmark calculations performed to include high-order and core-valence correlation, as well as scalar relativistic effects. The (3)A' surface was also scaled, based on the fact that in the collinear saddle point geometry these two electronic states are degenerate. The vibrationally adiabatic barrier heights are 3.44 kcal/mol for the (3)A '' and 4.16 kcal/mol for the (3)A' state. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4705428]

Error Upper Bounds for a Computational Method for Nonlinear Boundary and Initial-Value Problems

This work develops a computational approach for boundary and initial-value problems by using operational matrices, in order to run an evolutive process in a Hilbert space. Besides, upper bounds for errors in the solutions and in their derivatives can be estimated providing accuracy measures.

Reproducing kernel Hilbert spaces associated with kernels on topological spaces

We analyze reproducing kernel Hilbert spaces of positive definite kernels on a topological space X being either first countable or locally compact. The results include versions of Mercer's theorem and theorems on the embedding of these spaces into spaces of continuous and square integrable functions.