CR-Invariants and the Scattering Operator for Complex Manifolds with Boundary

The purpose of this paper is to describe certain CR-covariant differential operators on a strictly pseudoconvex CR manifold $M$ as residues of the scattering operator for the Laplacian on an ambient complex K\"{a}hler manifold $X$ having $M$ as a `CR-infinity.' We also characterize the CR $Q$-curvature in terms of the scattering operator. Our results parallel earlier results of Graham and Zworski \cite{GZ:2003}, who showed that if $X$ is an asymptotically hyperbolic manifold carrying a Poincar\'{e}-Einstein metric, the $Q$-curvature and certain conformally covariant differential operators on the `conformal infinity' $M$ of $X$ can be recovered from the scattering operator on $X$. The results in this paper were announced in \cite{HPT:2006}.Comment: 32 page

Zolotarev Quadrature Rules and Load Balancing for the FEAST Eigensolver

The FEAST method for solving large sparse eigenproblems is equivalent to subspace iteration with an approximate spectral projector and implicit orthogonalization. This relation allows to characterize the convergence of this method in terms of the error of a certain rational approximant to an indicator function. We propose improved rational approximants leading to FEAST variants with faster convergence, in particular, when using rational approximants based on the work of Zolotarev. Numerical experiments demonstrate the possible computational savings especially for pencils whose eigenvalues are not well separated and when the dimension of the search space is only slightly larger than the number of wanted eigenvalues. The new approach improves both convergence robustness and load balancing when FEAST runs on multiple search intervals in parallel.Comment: 22 pages, 8 figure

Solid state NMR and X-ray diffraction studies of α-d-galacturonic acid monohydrate

Crystalline a-d-galacturonic acid monohydrate has been studied by 13C CPMAS NMR and X-ray crystallography. The molecular dynamics were investigated by evaluating 13C spin-lattice relaxation in the rotating frame (T1?) and chemical-shift-anisotropy properties of each carbon. Only limited molecular motions can be detected in the low frequency